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

C17H21ClN2 — CID 105171205

IUPACN-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-9-20-17(15-8-10-19-12-16(15)18)14-7-5-6-13(4-2)11-14/h5-8,10-12,17,20H,3-4,9H2,1-2H3
InChIKeyLOKVLHPQDKEYNQ-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.39
Rot. Bonds6

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

N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine (PubChem CID 105171205) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
PubChem CID105171205
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CC)c1)c1ccncc1Cl
InChIInChI=1S/C17H21ClN2/c1-3-9-20-17(15-8-10-19-12-16(15)18)14-7-5-6-13(4-2)11-14/h5-8,10-12,17,20H,3-4,9H2,1-2H3
InChIKeyLOKVLHPQDKEYNQ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 105144863
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(3-chloro-4-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 105149426
N-[(2,5-dichlorothiophen-3-yl)-(3-ethylphenyl)methyl]propan-1-amine
CID 107968804
N-[(3-chloro-4-pyridinyl)-(2-methylphenyl)methyl]propan-1-amine
CID 105094789
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018464
N-[(3-chloro-5-methylphenyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105018545
N-[(3-ethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790432
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine (CID 105171205) is N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CC)c1)c1ccncc1Cl.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine?
The InChIKey is LOKVLHPQDKEYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-3-9-20-17(15-8-10-19-12-16(15)18)14-7-5-6-13(4-2)11-14/h5-8,10-12,17,20H,3-4,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine?
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.39, 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)-(3-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105171205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).