1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine

C16H20N2 — CID 54864805

IUPAC1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)11-14(2)18-12-15-7-9-17-10-8-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyIAMKIXGTXADVBL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine

1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine (PubChem CID 54864805) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
PubChem CID54864805
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
SMILESCc1ccccc1CC(C)NCc1ccncc1
InChIInChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)11-14(2)18-12-15-7-9-17-10-8-15/h3-10,14,18H,11-12H2,1-2H3
InChIKeyIAMKIXGTXADVBL-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine
CID 60943980
4-[[1-(2-methylphenyl)propan-2-ylamino]methyl]benzonitrile
CID 60943745
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62741442
1-(2-methylphenyl)-N-[(5-methyl-2-pyridinyl)methyl]propan-2-amine
CID 80707990
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 62136472
N-[(3-methylfuran-2-yl)methyl]-1-(2-methylphenyl)propan-2-amine
CID 113242970
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
1-(3-chlorophenyl)-N-(pyridin-4-ylmethyl)propan-2-amine
CID 43694798
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine (CID 54864805) is 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine is Cc1ccccc1CC(C)NCc1ccncc1.
What is the InChIKey of 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
The InChIKey is IAMKIXGTXADVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-3-4-6-16(13)11-14(2)18-12-15-7-9-17-10-8-15/h3-10,14,18H,11-12H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine?
1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine has a molecular weight of 240.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 54864805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).