(4-chloro-2-methoxyphenyl)methanamine

C8H10ClNO — CID 50989198

IUPAC(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1CN
InChIInChI=1S/C8H10ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyNHFLCGVYVOSCAV-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.81
Rot. Bonds2

About (4-chloro-2-methoxyphenyl)methanamine

(4-chloro-2-methoxyphenyl)methanamine (PubChem CID 50989198) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)methanamine
PubChem CID50989198
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name(4-chloro-2-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)ccc1CN
InChIInChI=1S/C8H10ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyNHFLCGVYVOSCAV-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)methanamine?
The IUPAC name of (4-chloro-2-methoxyphenyl)methanamine (CID 50989198) is (4-chloro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)methanamine?
The canonical SMILES for (4-chloro-2-methoxyphenyl)methanamine is COc1cc(Cl)ccc1CN.
What is the InChIKey of (4-chloro-2-methoxyphenyl)methanamine?
The InChIKey is NHFLCGVYVOSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (4-chloro-2-methoxyphenyl)methanamine?
(4-chloro-2-methoxyphenyl)methanamine has a molecular weight of 171.63 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 50989198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).