(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

C28H32NP — CID 72701934

IUPAC(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCCP(CC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C28H32NP/c1-5-30(6-2)29(21(3)25-17-15-23-11-7-9-13-27(23)19-25)22(4)26-18-16-24-12-8-10-14-28(24)20-26/h7-22H,5-6H2,1-4H3/t21-,22-/m0/s1
InChIKeyOSSOIFMPZPQOII-VXKWHMMOSA-N
MW413.55 g/mol
LogP8.55
Rot. Bonds7

About (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (PubChem CID 72701934) has the molecular formula C28H32NP and a molecular weight of 413.55 g/mol. Its IUPAC name is (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
PubChem CID72701934
Molecular FormulaC28H32NP
Molecular Weight413.55 g/mol
Exact Mass413.23
IUPAC Name(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESCCP(CC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C28H32NP/c1-5-30(6-2)29(21(3)25-17-15-23-11-7-9-13-27(23)19-25)22(4)26-18-16-24-12-8-10-14-28(24)20-26/h7-22H,5-6H2,1-4H3/t21-,22-/m0/s1
InChIKeyOSSOIFMPZPQOII-VXKWHMMOSA-N
XLogP8.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
N-chloro-N-methyl-1-naphthalen-2-ylethanamine
CID 135010068
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
2-propan-2-ylpentacene
CID 153380535
2-[tert-butyl(1-naphthalen-2-ylethyl)amino]acetic acid
CID 79263498
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
2-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 64541977
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The IUPAC name of (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (CID 72701934) is (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.
What is the SMILES notation for (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The canonical SMILES for (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is CCP(CC)N([C@@H](C)c1ccc2ccccc2c1)[C@@H](C)c1ccc2ccccc2c1.
What is the InChIKey of (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The InChIKey is OSSOIFMPZPQOII-VXKWHMMOSA-N. The full InChI is InChI=1S/C28H32NP/c1-5-30(6-2)29(21(3)25-17-15-23-11-7-9-13-27(23)19-25)22(4)26-18-16-24-12-8-10-14-28(24)20-26/h7-22H,5-6H2,1-4H3/t21-,22-/m0/s1.
What are the key properties of (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
(1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine has a molecular weight of 413.55 g/mol, XLogP of 8.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diethylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is sourced from PubChem (CID 72701934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).