3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

C16H20N2 — CID 28646793

IUPAC3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-14(16-9-12-17-13-10-16)18-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t14-/m1/s1
InChIKeyZQMCOAFKMFLEGG-CQSZACIVSA-N
MW240.35 g/mol
LogP3.37
Rot. Bonds6

About 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine

3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 28646793) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID28646793
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
SMILESC[C@@H](NCCCc1ccccc1)c1ccncc1
InChIInChI=1S/C16H20N2/c1-14(16-9-12-17-13-10-16)18-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t14-/m1/s1
InChIKeyZQMCOAFKMFLEGG-CQSZACIVSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[(1S)-1-(3-methylphenyl)ethyl]-3-phenylpropan-1-amine
CID 81363177
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
N-[1-(4-nitrophenyl)ethyl]-3-phenylpropan-1-amine
CID 43297352
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N-[1-(3-bromophenyl)ethyl]-3-phenylpropan-1-amine
CID 43094769
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine (CID 28646793) is 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is C[C@@H](NCCCc1ccccc1)c1ccncc1.
What is the InChIKey of 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is ZQMCOAFKMFLEGG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2/c1-14(16-9-12-17-13-10-16)18-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-14,18H,5,8,11H2,1H3/t14-/m1/s1.
What are the key properties of 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine?
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 28646793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).