1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine

C16H18ClN — CID 50852257

IUPAC1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN/c1-18(2)12-15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11H,10,12H2,1-2H3
InChIKeyMZXFXJSKRFFCNV-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.99
Rot. Bonds4

About 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine

1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 50852257) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID50852257
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H18ClN/c1-18(2)12-15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11H,10,12H2,1-2H3
InChIKeyMZXFXJSKRFFCNV-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
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CID 115212134
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
CID 172885498
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-4-chloro-N-[[3-[(dimethylamino)methyl]phenyl]methyl]aniline
CID 11648037
4-chloro-2-[[3-[(dimethylamino)methyl]anilino]methyl]phenol
CID 43688843
4-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 19812010
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine (CID 50852257) is 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cccc(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is MZXFXJSKRFFCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-18(2)12-15-5-3-4-14(11-15)10-13-6-8-16(17)9-7-13/h3-9,11H,10,12H2,1-2H3.
What are the key properties of 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 259.78 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 50852257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).