2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine

C12H17Cl2N — CID 65318187

IUPAC2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-4,6,8,10H,5,7,15H2,1-2H3
InChIKeyARPGBJLTUMOCEQ-UHFFFAOYSA-N
MW246.18 g/mol
LogP3.77
Rot. Bonds4

About 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine

2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine (PubChem CID 65318187) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
PubChem CID65318187
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-4,6,8,10H,5,7,15H2,1-2H3
InChIKeyARPGBJLTUMOCEQ-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
3-[(2,5-dichlorophenyl)methyl]-N-propylpentan-2-amine
CID 65316933
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
1,4-dichloro-2-(2-methylpent-3-ynyl)benzene
CID 83931386
(2,5-dichlorophenyl)methanamine;hydrochloride
CID 11356322
(2S)-4-(2,5-dichlorophenyl)butan-2-amine
CID 95375914
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine (CID 65318187) is 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is ARPGBJLTUMOCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-4,6,8,10H,5,7,15H2,1-2H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine?
2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 65318187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).