1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine

C16H19ClN2 — CID 103443973

IUPAC1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ncccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11(2)13-7-5-12(6-8-13)10-15(18)16-14(17)4-3-9-19-16/h3-9,11,15H,10,18H2,1-2H3
InChIKeyPEWNQWMYBOIBPZ-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.10
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine

1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 103443973) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID103443973
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2ncccc2Cl)cc1
InChIInChI=1S/C16H19ClN2/c1-11(2)13-7-5-12(6-8-13)10-15(18)16-14(17)4-3-9-19-16/h3-9,11,15H,10,18H2,1-2H3
InChIKeyPEWNQWMYBOIBPZ-UHFFFAOYSA-N
XLogP4.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-pyridinyl)-2-(3,4-dichlorophenyl)ethanamine
CID 103443990
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
[(3-chloro-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 103445949
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
1-(3-chloro-2-pyridinyl)pent-3-yn-1-amine
CID 103443984
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
[2-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)ethyl]hydrazine
CID 103445951
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
2-(4-bromo-2-chlorophenyl)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103443743

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine (CID 103443973) is 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)c2ncccc2Cl)cc1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is PEWNQWMYBOIBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11(2)13-7-5-12(6-8-13)10-15(18)16-14(17)4-3-9-19-16/h3-9,11,15H,10,18H2,1-2H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 274.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 103443973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).