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

C18H23ClN2 — CID 103444898

IUPACN-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ncccc1Cl
InChIInChI=1S/C18H23ClN2/c1-4-11-20-17(18-16(19)6-5-12-21-18)15-9-7-14(8-10-15)13(2)3/h5-10,12-13,17,20H,4,11H2,1-3H3
InChIKeyABBVWPUQRASZAK-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.95
Rot. Bonds6

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

N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 103444898) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID103444898
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)C)cc1)c1ncccc1Cl
InChIInChI=1S/C18H23ClN2/c1-4-11-20-17(18-16(19)6-5-12-21-18)15-9-7-14(8-10-15)13(2)3/h5-10,12-13,17,20H,4,11H2,1-3H3
InChIKeyABBVWPUQRASZAK-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-2-pyridinyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 103444823
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
N-[(3-chloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 103444765
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3-chloro-2-pyridinyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 103444757
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
N-[(3-chloro-2-pyridinyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 103444897
N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 103444898) is N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)C)cc1)c1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is ABBVWPUQRASZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-4-11-20-17(18-16(19)6-5-12-21-18)15-9-7-14(8-10-15)13(2)3/h5-10,12-13,17,20H,4,11H2,1-3H3.
What are the key properties of N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine?
N-[(3-chloro-2-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-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 103444898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).