1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine

C9H12ClNO — CID 23252541

IUPAC1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-11(12-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHPBRNPFKFNGYFX-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.33
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine

1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine (PubChem CID 23252541) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine
PubChem CID23252541
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine
SMILESCON(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C9H12ClNO/c1-11(12-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3
InChIKeyHPBRNPFKFNGYFX-UHFFFAOYSA-N
XLogP2.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzenemethanamine, 4-chloro-N-methyl-
CID 66905
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzylamine, N,N-bis(2-chloroethyl)-p-chloro-
CID 19183
Benzenemethanamine, N-butyl-4-chloro-
CID 485399
1-(2-Chlorophenyl)-N,N-dimethylmethanamine
CID 818014
N-(4-chlorobenzyl)prop-2-en-1-amine
CID 4717877
1-(4-Chlorobenzyl)azocane
CID 792348
BENZYLAMINE, p-CHLORO-N-METHYL-N-NITROSO-
CID 55204
1-[(4-Chlorophenyl)methyl]azepane
CID 791184
N,N-Dimethyl-2-(4-chlorophenyl)ethylamine
CID 12467520
N,N-Bis(4-chlorobenzyl)hydroxylamine
CID 521014
Ammonium, tributyl(p-chlorobenzyl)-, bromide
CID 186062

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine (CID 23252541) is 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine is CON(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine?
The InChIKey is HPBRNPFKFNGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-11(12-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine?
1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine has a molecular weight of 185.65 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 23252541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).