[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine

C12H16ClNO — CID 114318452

IUPAC[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCCC1CC1
InChIInChI=1S/C12H16ClNO/c13-11-2-1-3-12(10(11)8-14)15-7-6-9-4-5-9/h1-3,9H,4-8,14H2
InChIKeyLGJFWQUOCBPESQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.98
Rot. Bonds5

About [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine

[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine (PubChem CID 114318452) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
PubChem CID114318452
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1OCCC1CC1
InChIInChI=1S/C12H16ClNO/c13-11-2-1-3-12(10(11)8-14)15-7-6-9-4-5-9/h1-3,9H,4-8,14H2
InChIKeyLGJFWQUOCBPESQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
CID 114321436
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]methanamine
CID 113276578
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
5-[2-(aminomethyl)-3-chlorophenoxy]pentanenitrile
CID 114318568
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
[2-chloro-6-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 113276561
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine (CID 114318452) is [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine is NCc1c(Cl)cccc1OCCC1CC1.
What is the InChIKey of [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine?
The InChIKey is LGJFWQUOCBPESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-2-1-3-12(10(11)8-14)15-7-6-9-4-5-9/h1-3,9H,4-8,14H2.
What are the key properties of [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine?
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine is sourced from PubChem (CID 114318452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).