1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine

C12H17ClN2O — CID 116947040

IUPAC1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCOc1ccc(C(N)C2(N)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-16-10-4-3-8(7-9(10)13)11(14)12(15)5-6-12/h3-4,7,11H,2,5-6,14-15H2,1H3
InChIKeyVSSWCMZSORJQSR-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.23
Rot. Bonds4

About 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine

1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 116947040) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID116947040
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCCOc1ccc(C(N)C2(N)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-2-16-10-4-3-8(7-9(10)13)11(14)12(15)5-6-12/h3-4,7,11H,2,5-6,14-15H2,1H3
InChIKeyVSSWCMZSORJQSR-UHFFFAOYSA-N
XLogP2.23
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116942954
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116943692
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
(3-chloro-4-ethoxyphenyl)-methoxymethanamine
CID 116947279
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
1-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 116934028
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
CID 116943351
1-(3-chloro-4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 116934896
1-(3-chloro-4-ethoxyphenyl)propan-1-ol
CID 82629836
2-(3-chloro-4-ethoxyphenyl)butan-1-ol
CID 116964115
1-bromo-1-(3-chloro-4-ethoxyphenyl)-N,N-dimethylmethanamine
CID 116915052

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine (CID 116947040) is 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine is CCOc1ccc(C(N)C2(N)CC2)cc1Cl.
What is the InChIKey of 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VSSWCMZSORJQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-16-10-4-3-8(7-9(10)13)11(14)12(15)5-6-12/h3-4,7,11H,2,5-6,14-15H2,1H3.
What are the key properties of 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine?
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 240.73 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116947040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).