1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride

C8H11Cl2N — CID 12755946

IUPAC1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H
InChIKeyQTZCFTGBUZFEFR-UHFFFAOYSA-N
MW192.09 g/mol
LogP2.48
Rot. Bonds2

About 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride

1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride (PubChem CID 12755946) has the molecular formula C8H11Cl2N and a molecular weight of 192.09 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride
PubChem CID12755946
Molecular FormulaC8H11Cl2N
Molecular Weight192.09 g/mol
Exact Mass191.03
IUPAC Name1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C8H10ClN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H
InChIKeyQTZCFTGBUZFEFR-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzylamine
CID 7669
4-chloro-N-cyclopentylbenzylamine
CID 834083
4-Chlorobenzylamine
CID 66036
Lozilurea
CID 68907
Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
Benzenemethanamine, 3-chloro-
CID 77802
Benzenemethanamine, 3,5-dichloro-
CID 457602
3-Chloro-4-fluorobenzylamine
CID 144539
1-(3-Chlorobenzyl)piperazine
CID 764727
Benzenemethanamine, 3-chloro-N-methyl-
CID 122721
3-Chlorophenethylamine
CID 139381
2-Chlorobenzylamine
CID 66648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride (CID 12755946) is 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride is CNCc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is QTZCFTGBUZFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN.ClH/c1-10-6-7-3-2-4-8(9)5-7;/h2-5,10H,6H2,1H3;1H.
What are the key properties of 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride?
1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 192.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 12755946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).