1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine

C9H11Cl2N — CID 130557512

IUPAC1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6H2,1-2H3
InChIKeyRBYJHYPTGALKSE-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.06
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine

1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine (PubChem CID 130557512) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
PubChem CID130557512
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C9H11Cl2N/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6H2,1-2H3
InChIKeyRBYJHYPTGALKSE-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637
N-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 65317346
3-(2,5-dichlorophenyl)-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 79092426
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
(2,5-dichlorophenyl)methanethiol
CID 21489083
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
4-[(2,5-dichlorophenyl)methyl-methylamino]benzonitrile
CID 65317327
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
3-[(2,5-dichlorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65316606
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
CID 66568165

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine (CID 130557512) is 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine is CN(C)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine?
The InChIKey is RBYJHYPTGALKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-12(2)6-7-5-8(10)3-4-9(7)11/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine?
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine has a molecular weight of 204.10 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 130557512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).