3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine

C15H16Cl2N2O — CID 133380821

IUPAC3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
SMILESCOCCC(Nc1ncccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-20-10-8-14(11-4-6-12(16)7-5-11)19-15-13(17)3-2-9-18-15/h2-7,9,14H,8,10H2,1H3,(H,18,19)
InChIKeyKYZHGUZEXMSFMH-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.58
Rot. Bonds6

About 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine

3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine (PubChem CID 133380821) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
PubChem CID133380821
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
SMILESCOCCC(Nc1ncccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-20-10-8-14(11-4-6-12(16)7-5-11)19-15-13(17)3-2-9-18-15/h2-7,9,14H,8,10H2,1H3,(H,18,19)
InChIKeyKYZHGUZEXMSFMH-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-3-methoxypropyl]-4,6-dimethylpyrimidin-2-amine
CID 133380840
5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
CID 133380785
3-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133380824
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-3H-quinazolin-4-one
CID 137264955
5-chloro-4-[[1-(4-chlorophenyl)-3-methoxypropyl]amino]-1H-pyridazin-6-one
CID 133380806
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
3-chloro-N-pent-4-yn-2-ylpyridin-2-amine
CID 115689385
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
3-chloro-N-[1-(4-ethylphenyl)ethyl]pyridin-2-amine
CID 60701697
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
3-chloro-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63838521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine (CID 133380821) is 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine is COCCC(Nc1ncccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The InChIKey is KYZHGUZEXMSFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-20-10-8-14(11-4-6-12(16)7-5-11)19-15-13(17)3-2-9-18-15/h2-7,9,14H,8,10H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine has a molecular weight of 311.21 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine is sourced from PubChem (CID 133380821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).