3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine

C14H20ClNO — CID 112508997

IUPAC3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)c(Cl)c1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16-8-7-12(10-3-4-10)11-5-6-14(17-2)13(15)9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3
InChIKeyMJYGPLIYUWNZQE-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.45
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine

3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine (PubChem CID 112508997) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
PubChem CID112508997
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)c(Cl)c1)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16-8-7-12(10-3-4-10)11-5-6-14(17-2)13(15)9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3
InChIKeyMJYGPLIYUWNZQE-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
CID 82081026
3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
CID 112508407
4-(1-bromo-2-cyclopentylethyl)-2-chloro-1-methoxybenzene
CID 63439505
1-(3-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43480902
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131204
2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 71776049
(2S)-2-cyclobutyl-2-(3,4-dimethoxyphenyl)-N-methylethanamine;hydrochloride
CID 175283324
(3-chloro-4-methoxyphenyl)-cycloheptylmethanol
CID 62590019
2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
methyl N-[3-cyclopropyl-3-(3,4-dimethoxyphenyl)propyl]-N-methylcarbamate
CID 110357612

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine (CID 112508997) is 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine is CNCCC(c1ccc(OC)c(Cl)c1)C1CC1.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is MJYGPLIYUWNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-8-7-12(10-3-4-10)11-5-6-14(17-2)13(15)9-11/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine?
3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 112508997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).