N-[(1S)-1,2-diphenylethyl]propan-1-amine

C17H21N — CID 36689865

IUPACN-[(1S)-1,2-diphenylethyl]propan-1-amine
SMILESCCCN[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-13-18-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1
InChIKeyQDJKYFSVYJISOP-KRWDZBQOSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds6

About N-[(1S)-1,2-diphenylethyl]propan-1-amine

N-[(1S)-1,2-diphenylethyl]propan-1-amine (PubChem CID 36689865) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]propan-1-amine
PubChem CID36689865
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-[(1S)-1,2-diphenylethyl]propan-1-amine
SMILESCCCN[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-2-13-18-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1
InChIKeyQDJKYFSVYJISOP-KRWDZBQOSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
N-[1-(3-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 60799452
N-(2-ethoxyethyl)-1,2-diphenylethanamine
CID 43403746
N-(2-fluoroethyl)-1,2-diphenylethanamine
CID 113247505
N-[2-(3,4-dichlorophenyl)-1-phenylethyl]propan-1-amine
CID 63413061
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
N'-(1,2-diphenylethyl)ethane-1,2-diamine;dihydrochloride
CID 70443145
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177
N-(2-phenyl-1-pyrimidin-2-ylethyl)propan-1-amine
CID 60817853

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]propan-1-amine?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]propan-1-amine (CID 36689865) is N-[(1S)-1,2-diphenylethyl]propan-1-amine.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]propan-1-amine?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]propan-1-amine is CCCN[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]propan-1-amine?
The InChIKey is QDJKYFSVYJISOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N/c1-2-13-18-17(16-11-7-4-8-12-16)14-15-9-5-3-6-10-15/h3-12,17-18H,2,13-14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]propan-1-amine?
N-[(1S)-1,2-diphenylethyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]propan-1-amine is sourced from PubChem (CID 36689865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).