1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine

C25H30N2O — CID 68841797

IUPAC1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine
SMILESCOc1cccc([C@@H](C)NCc2ccc(C(c3ccccc3)C(C)N)cc2)c1
InChIInChI=1S/C25H30N2O/c1-18(26)25(21-8-5-4-6-9-21)22-14-12-20(13-15-22)17-27-19(2)23-10-7-11-24(16-23)28-3/h4-16,18-19,25,27H,17,26H2,1-3H3/t18?,19-,25?/m1/s1
InChIKeyLSKCGFKENYIFLP-FAFRJYIDSA-N
MW374.53 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine

1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine (PubChem CID 68841797) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine
PubChem CID68841797
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine
SMILESCOc1cccc([C@@H](C)NCc2ccc(C(c3ccccc3)C(C)N)cc2)c1
InChIInChI=1S/C25H30N2O/c1-18(26)25(21-8-5-4-6-9-21)22-14-12-20(13-15-22)17-27-19(2)23-10-7-11-24(16-23)28-3/h4-16,18-19,25,27H,17,26H2,1-3H3/t18?,19-,25?/m1/s1
InChIKeyLSKCGFKENYIFLP-FAFRJYIDSA-N
XLogP5.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine with MolForge

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Related Compounds

4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
(1R)-N-[(3-bromo-4-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376213
2-methoxy-5-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81354169
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1R)-1-(3-methoxyphenyl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81376430
(1R)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81437346
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine?
The IUPAC name of 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine (CID 68841797) is 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine.
What is the SMILES notation for 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine?
The canonical SMILES for 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine is COc1cccc([C@@H](C)NCc2ccc(C(c3ccccc3)C(C)N)cc2)c1.
What is the InChIKey of 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine?
The InChIKey is LSKCGFKENYIFLP-FAFRJYIDSA-N. The full InChI is InChI=1S/C25H30N2O/c1-18(26)25(21-8-5-4-6-9-21)22-14-12-20(13-15-22)17-27-19(2)23-10-7-11-24(16-23)28-3/h4-16,18-19,25,27H,17,26H2,1-3H3/t18?,19-,25?/m1/s1.
What are the key properties of 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine?
1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine has a molecular weight of 374.53 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[(1R)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 68841797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).