(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine

C36H44N2O2 — CID 71178192

IUPAC(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1OCCCCCCOc1ccccc1CN[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44N2O2/c1-29(31-17-7-5-8-18-31)37-27-33-21-11-13-23-35(33)39-25-15-3-4-16-26-40-36-24-14-12-22-34(36)28-38-30(2)32-19-9-6-10-20-32/h5-14,17-24,29-30,37-38H,3-4,15-16,25-28H2,1-2H3/t29-,30-/m1/s1
InChIKeyFAYGARLHUKOEPP-LOYHVIPDSA-N
MW536.76 g/mol
LogP8.41
Rot. Bonds17

About (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine

(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine (PubChem CID 71178192) has the molecular formula C36H44N2O2 and a molecular weight of 536.76 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
PubChem CID71178192
Molecular FormulaC36H44N2O2
Molecular Weight536.76 g/mol
Exact Mass536.34
IUPAC Name(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1ccccc1OCCCCCCOc1ccccc1CN[C@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44N2O2/c1-29(31-17-7-5-8-18-31)37-27-33-21-11-13-23-35(33)39-25-15-3-4-16-26-40-36-24-14-12-22-34(36)28-38-30(2)32-19-9-6-10-20-32/h5-14,17-24,29-30,37-38H,3-4,15-16,25-28H2,1-2H3/t29-,30-/m1/s1
InChIKeyFAYGARLHUKOEPP-LOYHVIPDSA-N
XLogP8.41
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-phenyl-N-[[2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 46736198
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
(1R)-1-phenyl-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 8004461
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
2-[2-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81347276
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N-[(2-heptoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847955

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine (CID 71178192) is (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine is C[C@@H](NCc1ccccc1OCCCCCCOc1ccccc1CN[C@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine?
The InChIKey is FAYGARLHUKOEPP-LOYHVIPDSA-N. The full InChI is InChI=1S/C36H44N2O2/c1-29(31-17-7-5-8-18-31)37-27-33-21-11-13-23-35(33)39-25-15-3-4-16-26-40-36-24-14-12-22-34(36)28-38-30(2)32-19-9-6-10-20-32/h5-14,17-24,29-30,37-38H,3-4,15-16,25-28H2,1-2H3/t29-,30-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine?
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine has a molecular weight of 536.76 g/mol, XLogP of 8.41, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 71178192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).