2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine

C13H18ClNO — CID 62107327

IUPAC2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
SMILESCNCC(OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-15-8-13(16-9-10-5-6-10)11-3-2-4-12(14)7-11/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyAZPKJJKRYINBGY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.03
Rot. Bonds6

About 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine

2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine (PubChem CID 62107327) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
PubChem CID62107327
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
SMILESCNCC(OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-15-8-13(16-9-10-5-6-10)11-3-2-4-12(14)7-11/h2-4,7,10,13,15H,5-6,8-9H2,1H3
InChIKeyAZPKJJKRYINBGY-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(3-chlorophenyl)-N-methyl-2-(2-methylcyclohexyl)oxyethanamine
CID 55036427
N-methyl-2-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanamine
CID 62111410
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
CID 66323116
N-[2-(3-chlorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopropanamine
CID 104565658
2-(3-chlorophenyl)-N-methyl-3-(oxan-4-yl)propan-1-amine
CID 79442884
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
1-chloro-3-[1-chloro-3-(cyclopropylmethoxy)propan-2-yl]benzene
CID 106931388

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine (CID 62107327) is 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine is CNCC(OCC1CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine?
The InChIKey is AZPKJJKRYINBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-8-13(16-9-10-5-6-10)11-3-2-4-12(14)7-11/h2-4,7,10,13,15H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine?
2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine has a molecular weight of 239.75 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine is sourced from PubChem (CID 62107327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).