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

C18H23ClN2 — CID 105144863

IUPACN-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-4-10-21-18(16-9-11-20-12-17(16)19)15-7-5-14(6-8-15)13(2)3/h5-9,11-13,18,21H,4,10H2,1-3H3
InChIKeyQKKDOVWSULIGLD-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.95
Rot. Bonds6

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

N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 105144863) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID105144863
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-4-10-21-18(16-9-11-20-12-17(16)19)15-7-5-14(6-8-15)13(2)3/h5-9,11-13,18,21H,4,10H2,1-3H3
InChIKeyQKKDOVWSULIGLD-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(3-chloro-4-pyridinyl)-(2,6-difluoro-3-methylphenyl)methyl]propan-1-amine
CID 105175887
N-[(4-bromothiophen-3-yl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105166826
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
N-[(4-tert-butylphenyl)-(3-chloro-4-pyridinyl)methyl]ethanamine
CID 105140466
N-[(4-methyl-3-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 66271195

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 105144863) is N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)c1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is QKKDOVWSULIGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-10-21-18(16-9-11-20-12-17(16)19)15-7-5-14(6-8-15)13(2)3/h5-9,11-13,18,21H,4,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.95, 6 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)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105144863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).