1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine

C18H23ClN2 — CID 105139865

IUPAC1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-2-12-21-18(16-11-13-20-14-17(16)19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13-14,18,21H,2,6,9-10,12H2,1H3
InChIKeyQGASVCGCEJRQCH-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.80
Rot. Bonds8

About 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine

1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine (PubChem CID 105139865) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
PubChem CID105139865
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)c1ccncc1Cl
InChIInChI=1S/C18H23ClN2/c1-2-12-21-18(16-11-13-20-14-17(16)19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13-14,18,21H,2,6,9-10,12H2,1H3
InChIKeyQGASVCGCEJRQCH-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
4-phenyl-N-propyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105139842
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
4-(4-chlorophenyl)-1-phenyl-N-propylbutan-1-amine
CID 64502036
1-(2,3-dichlorophenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105141906
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256
1-(4-bromothiophen-3-yl)-4-phenyl-N-propylbutan-1-amine
CID 105166680
1-(2-chloro-4-fluorophenyl)-3-phenyl-N-propylpropan-1-amine
CID 63420157
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine (CID 105139865) is 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1ccccc1)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine?
The InChIKey is QGASVCGCEJRQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-2-12-21-18(16-11-13-20-14-17(16)19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,13-14,18,21H,2,6,9-10,12H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine?
1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine has a molecular weight of 302.85 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 105139865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).