(4-chloro-3-methoxyphenyl)methanamine;hydrochloride

C8H11Cl2NO — CID 19701901

IUPAC(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(CN)ccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-8-4-6(5-10)2-3-7(8)9;/h2-4H,5,10H2,1H3;1H
InChIKeyKZEPKPPRWDMTAC-UHFFFAOYSA-N
MW208.09 g/mol
LogP2.23
Rot. Bonds2

About (4-chloro-3-methoxyphenyl)methanamine;hydrochloride

(4-chloro-3-methoxyphenyl)methanamine;hydrochloride (PubChem CID 19701901) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
PubChem CID19701901
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1cc(CN)ccc1Cl.Cl
InChIInChI=1S/C8H10ClNO.ClH/c1-11-8-4-6(5-10)2-3-7(8)9;/h2-4H,5,10H2,1H3;1H
InChIKeyKZEPKPPRWDMTAC-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(4-chloro-3-methoxyphenyl)phenyl]methanamine
CID 114076769
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
4-(aminomethyl)-2-methoxyphenol;hydrobromide
CID 68756614
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
(4-tert-butyl-3-methoxyphenyl)methanamine
CID 82669944
1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
(3-bromo-4-methoxyphenyl)methanamine
CID 22026276

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (4-chloro-3-methoxyphenyl)methanamine;hydrochloride (CID 19701901) is (4-chloro-3-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (4-chloro-3-methoxyphenyl)methanamine;hydrochloride is COc1cc(CN)ccc1Cl.Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is KZEPKPPRWDMTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c1-11-8-4-6(5-10)2-3-7(8)9;/h2-4H,5,10H2,1H3;1H.
What are the key properties of (4-chloro-3-methoxyphenyl)methanamine;hydrochloride?
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 19701901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).