N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine

C17H22N2 — CID 62548702

IUPACN-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-4-11-19-17(16-10-5-6-12-18-16)15-9-7-8-13(2)14(15)3/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyCEHUMTOCERGPIV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.79
Rot. Bonds5

About N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine

N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine (PubChem CID 62548702) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
PubChem CID62548702
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccccn1)c1cccc(C)c1C
InChIInChI=1S/C17H22N2/c1-4-11-19-17(16-10-5-6-12-18-16)15-9-7-8-13(2)14(15)3/h5-10,12,17,19H,4,11H2,1-3H3
InChIKeyCEHUMTOCERGPIV-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140593
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730
N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 62802656
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
CID 145259803
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine (CID 62548702) is N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine is CCCNC(c1ccccn1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
The InChIKey is CEHUMTOCERGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-11-19-17(16-10-5-6-12-18-16)15-9-7-8-13(2)14(15)3/h5-10,12,17,19H,4,11H2,1-3H3.
What are the key properties of N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine?
N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 62548702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).