N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine

C16H19ClN2 — CID 105094789

IUPACN-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-9-19-16(13-7-5-4-6-12(13)2)14-8-10-18-11-15(14)17/h4-8,10-11,16,19H,3,9H2,1-2H3
InChIKeyWATWHCLCQUHSLE-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.13
Rot. Bonds5

About N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine

N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine (PubChem CID 105094789) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
PubChem CID105094789
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1C)c1ccncc1Cl
InChIInChI=1S/C16H19ClN2/c1-3-9-19-16(13-7-5-4-6-12(13)2)14-8-10-18-11-15(14)17/h4-8,10-11,16,19H,3,9H2,1-2H3
InChIKeyWATWHCLCQUHSLE-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 ≤ 500274.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[(3-bromo-2-fluorophenyl)-(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106646023

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine (CID 105094789) is N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1C)c1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine?
The InChIKey is WATWHCLCQUHSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-3-9-19-16(13-7-5-4-6-12(13)2)14-8-10-18-11-15(14)17/h4-8,10-11,16,19H,3,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine has a molecular weight of 274.80 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 N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105094789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).