1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine

C16H17Cl2N — CID 44568653

IUPAC1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3
InChIKeyRVVDMQMBQDIWKD-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.65
Rot. Bonds4

About 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine

1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 44568653) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID44568653
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3
InChIKeyRVVDMQMBQDIWKD-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n-Methyl sertraline
CID 18642483
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
A 31472
CID 3038603
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-dimethyl-amine
CID 9796539
[3-(3,4-Dichloro-phenyl)-indan-1-yl]-ethyl-amine;chloride
CID 9884474
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434
1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53321058
1-(3,4-Dichlorobenzyl)azepane
CID 791302
[(3,4-Dichlorophenyl)methyl](methyl)amine
CID 485436
3-(3,4-dichlorophenyl)-N,N-diethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260266

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine (CID 44568653) is 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is RVVDMQMBQDIWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-19(2)11-14-6-4-3-5-13(14)9-12-7-8-15(17)16(18)10-12/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 294.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,4-dichlorophenyl)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 44568653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).