(2-chloro-4-methoxyphenyl)methanamine

C8H10ClNO — CID 22467642

IUPAC(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
InChIKeyBIUYGSUUWLLILY-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.81
Rot. Bonds2

About (2-chloro-4-methoxyphenyl)methanamine

(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 22467642) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)methanamine
PubChem CID22467642
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CN)c(Cl)c1
InChIInChI=1S/C8H10ClNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3
InChIKeyBIUYGSUUWLLILY-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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Related Compounds

2-[(2-chloro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 83942427
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
[2-(3,4-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 112749101
4-(2-chloro-4-methoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65305189
CID 155696635
CID 155696635
[2-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60878519
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
2-chloro-4-methoxy-1-(2,2,2-trifluoroethyl)benzene
CID 116932163
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (2-chloro-4-methoxyphenyl)methanamine (CID 22467642) is (2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (2-chloro-4-methoxyphenyl)methanamine is COc1ccc(CN)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is BIUYGSUUWLLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,5,10H2,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)methanamine?
(2-chloro-4-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 (2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 22467642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).