1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

C17H22N2 — CID 81405927

IUPAC1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-4-17(16-7-5-13(2)6-8-16)19-14(3)15-9-11-18-12-10-15/h5-12,14,17,19H,4H2,1-3H3/t14-,17?/m0/s1
InChIKeyZVZVTYRPVWNVFP-MBIQTGHCSA-N
MW254.38 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine

1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (PubChem CID 81405927) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
PubChem CID81405927
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C17H22N2/c1-4-17(16-7-5-13(2)6-8-16)19-14(3)15-9-11-18-12-10-15/h5-12,14,17,19H,4H2,1-3H3/t14-,17?/m0/s1
InChIKeyZVZVTYRPVWNVFP-MBIQTGHCSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
4-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81349500
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-(4-methylphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612282
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 43766850

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine (CID 81405927) is 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is CCC(N[C@@H](C)c1ccncc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is ZVZVTYRPVWNVFP-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-17(16-7-5-13(2)6-8-16)19-14(3)15-9-11-18-12-10-15/h5-12,14,17,19H,4H2,1-3H3/t14-,17?/m0/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine?
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 81405927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).