3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine

C14H20ClNO — CID 63354851

IUPAC3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cc(Cl)ccc1OC)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16-13(10-3-4-10)7-5-11-9-12(15)6-8-14(11)17-2/h6,8-10,13,16H,3-5,7H2,1-2H3
InChIKeyKENKNNSEGAPIEA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.28
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine

3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 63354851) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID63354851
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cc(Cl)ccc1OC)C1CC1
InChIInChI=1S/C14H20ClNO/c1-16-13(10-3-4-10)7-5-11-9-12(15)6-8-14(11)17-2/h6,8-10,13,16H,3-5,7H2,1-2H3
InChIKeyKENKNNSEGAPIEA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
3-(3-bromo-2,4-dimethoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 103523891
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 65330019
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 63415780
N-[2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethyl]propan-1-amine
CID 63413486
3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115844831
2-(5-chloro-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188374
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
4-chloro-2-(3-chlorohexyl)-1-methoxybenzene
CID 63460736

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine (CID 63354851) is 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine is CNC(CCc1cc(Cl)ccc1OC)C1CC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is KENKNNSEGAPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-16-13(10-3-4-10)7-5-11-9-12(15)6-8-14(11)17-2/h6,8-10,13,16H,3-5,7H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 63354851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).