1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine

C14H20ClNO2 — CID 116722171

IUPAC1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)C(OC)C1CC1
InChIInChI=1S/C14H20ClNO2/c1-16-13(14(18-3)9-4-5-9)10-6-7-11(15)12(8-10)17-2/h6-9,13-14,16H,4-5H2,1-3H3
InChIKeyXJAFPBQZSULAOL-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine (PubChem CID 116722171) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
PubChem CID116722171
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
SMILESCNC(c1ccc(Cl)c(OC)c1)C(OC)C1CC1
InChIInChI=1S/C14H20ClNO2/c1-16-13(14(18-3)9-4-5-9)10-6-7-11(15)12(8-10)17-2/h6-9,13-14,16H,4-5H2,1-3H3
InChIKeyXJAFPBQZSULAOL-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314
2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771600
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
1-(2-chlorophenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine
CID 116722168
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-1-(furan-3-yl)-2-methoxy-N-methylethanamine
CID 116722206
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
2-cyclopropyl-2-methoxy-N-methyl-1-thiophen-3-ylethanamine
CID 116722222
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
2-cyclopropyl-2-methoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722194
[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105272935
1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine (CID 116722171) is 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine is CNC(c1ccc(Cl)c(OC)c1)C(OC)C1CC1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
The InChIKey is XJAFPBQZSULAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-16-13(14(18-3)9-4-5-9)10-6-7-11(15)12(8-10)17-2/h6-9,13-14,16H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine has a molecular weight of 269.77 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-methoxy-N-methylethanamine is sourced from PubChem (CID 116722171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).