1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine

C10H13Cl2NO — CID 115263145

IUPAC1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CCl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(7-11)6-8-3-4-10(14-2)9(12)5-8/h3-5H,6-7H2,1-2H3
InChIKeyZZCVCKLNQPUCBT-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine

1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine (PubChem CID 115263145) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
PubChem CID115263145
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)CCl)cc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-13(7-11)6-8-3-4-10(14-2)9(12)5-8/h3-5H,6-7H2,1-2H3
InChIKeyZZCVCKLNQPUCBT-UHFFFAOYSA-N
XLogP2.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263220
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 126815454
2-[carboxymethyl-[(3-chloro-4-methoxyphenyl)methyl]amino]acetic acid
CID 65065887
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
N'-benzyl-N'-[(3-chloro-4-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20766140
N-[(3-chloro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140765
3-amino-1-[(3-chloro-4-methoxyphenyl)methyl]-1-methylurea
CID 115192735
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methyl-2-[(2R)-oxan-2-yl]ethanamine
CID 99931540
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyano-N-methylacetamide
CID 82131783

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine (CID 115263145) is 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine is COc1ccc(CN(C)CCl)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine?
The InChIKey is ZZCVCKLNQPUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-13(7-11)6-8-3-4-10(14-2)9(12)5-8/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine?
1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine has a molecular weight of 234.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-(chloromethyl)-N-methylmethanamine is sourced from PubChem (CID 115263145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).