N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride

C12H18Cl3N — CID 17206538

IUPACN-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H17Cl2N.ClH/c1-4-12(2,3)15-8-9-10(13)6-5-7-11(9)14;/h5-7,15H,4,8H2,1-3H3;1H
InChIKeyCJRDZISTSPGVTL-UHFFFAOYSA-N
MW282.64 g/mol
LogP4.69
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride

N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride (PubChem CID 17206538) has the molecular formula C12H18Cl3N and a molecular weight of 282.64 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride
PubChem CID17206538
Molecular FormulaC12H18Cl3N
Molecular Weight282.64 g/mol
Exact Mass281.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride
SMILESCCC(C)(C)NCc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H17Cl2N.ClH/c1-4-12(2,3)15-8-9-10(13)6-5-7-11(9)14;/h5-7,15H,4,8H2,1-3H3;1H
InChIKeyCJRDZISTSPGVTL-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-2-methylbutan-2-amine
CID 124824299
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66531646
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
3-[(2-chloro-6-fluorophenyl)methylamino]-3-methylbutanamide
CID 104580447
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine;hydrochloride
CID 17211012
N-[(5-chlorothiophen-2-yl)methyl]-2-methylbutan-2-amine
CID 28565422
3-chloro-2-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]phenol
CID 115866682
1-(2,6-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839804
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
3-chloro-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 29066258

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride (CID 17206538) is N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride is CCC(C)(C)NCc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
The InChIKey is CJRDZISTSPGVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N.ClH/c1-4-12(2,3)15-8-9-10(13)6-5-7-11(9)14;/h5-7,15H,4,8H2,1-3H3;1H.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride?
N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride has a molecular weight of 282.64 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-methylbutan-2-amine;hydrochloride is sourced from PubChem (CID 17206538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).