2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine

C17H22N2 — CID 43685407

IUPAC2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NC(c1ccccc1)C(C)C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-14(3)15-9-11-18-12-10-15/h4-14,17,19H,1-3H3
InChIKeySCGDJVDNJHGPMM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.13
Rot. Bonds5

About 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine

2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine (PubChem CID 43685407) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
PubChem CID43685407
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
SMILESCC(NC(c1ccccc1)C(C)C)c1ccncc1
InChIInChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-14(3)15-9-11-18-12-10-15/h4-14,17,19H,1-3H3
InChIKeySCGDJVDNJHGPMM-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
2-methyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 81402344
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
(1R)-N-[cyclopropyl(phenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406216
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
N-[1-(3,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685384
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The IUPAC name of 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine (CID 43685407) is 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine is CC(NC(c1ccccc1)C(C)C)c1ccncc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
The InChIKey is SCGDJVDNJHGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)17(16-7-5-4-6-8-16)19-14(3)15-9-11-18-12-10-15/h4-14,17,19H,1-3H3.
What are the key properties of 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine?
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 43685407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).