3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine

C16H19ClN2O — CID 65125822

IUPAC3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-2-9-18-16-14(4-3-10-19-16)12-20-11-13-5-7-15(17)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,19)
InChIKeyKLSGHAXJLQGDJE-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.27
Rot. Bonds7

About 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine

3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine (PubChem CID 65125822) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
PubChem CID65125822
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ncccc1COCc1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O/c1-2-9-18-16-14(4-3-10-19-16)12-20-11-13-5-7-15(17)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,19)
InChIKeyKLSGHAXJLQGDJE-UHFFFAOYSA-N
XLogP4.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 62465145
3-[(2,5-dichlorophenoxy)methyl]-N-propylpyridin-2-amine
CID 63486701
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422
N-propyl-3-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-2-amine
CID 55075103
3-[(4-bromophenoxy)methyl]-N-propylpyridin-2-amine
CID 55075630
3-[(3-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62465500
3-[(4-chlorophenyl)methoxymethyl]pyridine-2-carbonitrile
CID 65125922
[3-[[2-(propylamino)-3-pyridinyl]methoxy]phenyl]methanol
CID 62467832
3,5-dichloro-6-[(4-chlorophenyl)methoxy]-N-propylpyridin-2-amine
CID 102761015
3-[(2-fluoro-3-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 107660665
3-[(3-bromophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 82831980
4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The IUPAC name of 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine (CID 65125822) is 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine is CCCNc1ncccc1COCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
The InChIKey is KLSGHAXJLQGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-9-18-16-14(4-3-10-19-16)12-20-11-13-5-7-15(17)8-6-13/h3-8,10H,2,9,11-12H2,1H3,(H,18,19).
What are the key properties of 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine?
3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxymethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 65125822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).