1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine

C17H21N — CID 78956018

IUPAC1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-3-17(16-12-8-5-9-13-16)18-14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17?/m0/s1
InChIKeyRIBGLDXRHURQOK-MBIQTGHCSA-N
MW239.36 g/mol
LogP4.49
Rot. Bonds5

About 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine

1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine (PubChem CID 78956018) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
PubChem CID78956018
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N/c1-3-17(16-12-8-5-9-13-16)18-14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17?/m0/s1
InChIKeyRIBGLDXRHURQOK-MBIQTGHCSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine (CID 78956018) is 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine is CCC(N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine?
The InChIKey is RIBGLDXRHURQOK-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H21N/c1-3-17(16-12-8-5-9-13-16)18-14(2)15-10-6-4-7-11-15/h4-14,17-18H,3H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine?
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 78956018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).