[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine

C12H17ClN2O — CID 116943351

IUPAC[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-16-10-3-2-8(6-9(10)13)11(15)12(7-14)4-5-12/h2-3,6,11H,4-5,7,14-15H2,1H3
InChIKeyRYNLFKZLGXJSCZ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.09
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine

[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine (PubChem CID 116943351) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
PubChem CID116943351
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2(CN)CC2)cc1Cl
InChIInChI=1S/C12H17ClN2O/c1-16-10-3-2-8(6-9(10)13)11(15)12(7-14)4-5-12/h2-3,6,11H,4-5,7,14-15H2,1H3
InChIKeyRYNLFKZLGXJSCZ-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(3-chloro-4-methoxyphenyl)methanol
CID 79123439
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
[1-(aminomethyl)cyclopropyl]-(3,4,5-trimethoxyphenyl)methanamine
CID 116943456
[1-(aminomethyl)cyclobutyl]-(3-chloro-4-fluorophenyl)methanamine
CID 116943859
[1-(aminomethyl)cyclopropyl]-(2,4-dimethoxyphenyl)methanamine
CID 116943372
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropan-1-amine
CID 116947040
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556124
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116942954
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine (CID 116943351) is [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)C2(CN)CC2)cc1Cl.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine?
The InChIKey is RYNLFKZLGXJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-16-10-3-2-8(6-9(10)13)11(15)12(7-14)4-5-12/h2-3,6,11H,4-5,7,14-15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine?
[1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine has a molecular weight of 240.73 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(3-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 116943351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).