1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C16H18ClNO — CID 60744302

IUPAC1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-19-12-15-7-3-2-6-14(15)11-18-10-13-5-4-8-16(17)9-13/h2-9,18H,10-12H2,1H3
InChIKeyUZHZGOOAAQAUKM-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.78
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 60744302) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID60744302
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-19-12-15-7-3-2-6-14(15)11-18-10-13-5-4-8-16(17)9-13/h2-9,18H,10-12H2,1H3
InChIKeyUZHZGOOAAQAUKM-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744348
1-(4-chloro-2-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 104853900
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
N-[(2,4-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60976282
N-[(3,5-dichlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 61003276
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
1-(3-bromo-4-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 115875971
2-[(3-chlorophenyl)methylsulfanyl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32601859
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 60744302) is 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is COCc1ccccc1CNCc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is UZHZGOOAAQAUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-12-15-7-3-2-6-14(15)11-18-10-13-5-4-8-16(17)9-13/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60744302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).