N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine

C15H15Cl2NO — CID 43410760

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-19-15-7-6-14(17)8-12(15)10-18-9-11-2-4-13(16)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyOIZHERBPCTYPSI-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.29
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine (PubChem CID 43410760) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
PubChem CID43410760
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
SMILESCOc1ccc(Cl)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO/c1-19-15-7-6-14(17)8-12(15)10-18-9-11-2-4-13(16)5-3-11/h2-8,18H,9-10H2,1H3
InChIKeyOIZHERBPCTYPSI-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43406541
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid
CID 4723343
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222884
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55071098
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-phenylmethanamine
CID 4717131

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine (CID 43410760) is N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine is COc1ccc(Cl)cc1CNCc1ccc(Cl)cc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine?
The InChIKey is OIZHERBPCTYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-19-15-7-6-14(17)8-12(15)10-18-9-11-2-4-13(16)5-3-11/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine?
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine has a molecular weight of 296.20 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine is sourced from PubChem (CID 43410760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).