N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

C19H26N2 — CID 63155815

IUPACN-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccc(C)nc1
InChIInChI=1S/C19H26N2/c1-5-12-20-19(18-7-6-15(4)21-13-18)17-10-8-16(9-11-17)14(2)3/h6-11,13-14,19-20H,5,12H2,1-4H3
InChIKeyIAXRSUUIQKKEGE-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.60
Rot. Bonds6

About N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine

N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 63155815) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID63155815
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccc(C)nc1
InChIInChI=1S/C19H26N2/c1-5-12-20-19(18-7-6-15(4)21-13-18)17-10-8-16(9-11-17)14(2)3/h6-11,13-14,19-20H,5,12H2,1-4H3
InChIKeyIAXRSUUIQKKEGE-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylsulfanylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 106849296
N,N-dimethyl-4-[(6-methyl-3-pyridinyl)-(propylamino)methyl]aniline
CID 105146242
N-[(3-bromo-4-chlorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115567849
N-[(3-chloro-4-fluorophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 63155972
3-methyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 63155465
N-[(5-chloro-2-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854575
N-[(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183147
N-[(2,6-difluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854881
N-[(2-iodophenyl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115854533
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115854567
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 63155815) is N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)c1ccc(C)nc1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is IAXRSUUIQKKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-12-20-19(18-7-6-15(4)21-13-18)17-10-8-16(9-11-17)14(2)3/h6-11,13-14,19-20H,5,12H2,1-4H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).