1-(2,5-dichlorophenyl)-2-methylpentan-1-amine

C12H17Cl2N — CID 43167292

IUPAC1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-8(2)12(15)10-7-9(13)5-6-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyGXROUYIRYIJERE-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine

1-(2,5-dichlorophenyl)-2-methylpentan-1-amine (PubChem CID 43167292) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
PubChem CID43167292
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
SMILESCCCC(C)C(N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-8(2)12(15)10-7-9(13)5-6-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyGXROUYIRYIJERE-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine 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

1-(2-chloro-4,5-diethoxyphenyl)-2-methylpentan-1-amine
CID 43330620
(1S,2R)-1-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171267558
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
1-(2,5-dichlorophenyl)-N-methylbutan-1-amine
CID 43486635
1-(2,5-dichlorophenyl)-2-methoxy-3-methylbutan-1-amine
CID 116719639
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
2-(2,5-dichlorophenyl)-N-propylhexan-3-amine
CID 83051537
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
4-(2,5-dichlorophenyl)hexan-1-amine
CID 83931331

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine (CID 43167292) is 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine is CCCC(C)C(N)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine?
The InChIKey is GXROUYIRYIJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-4-8(2)12(15)10-7-9(13)5-6-11(10)14/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine?
1-(2,5-dichlorophenyl)-2-methylpentan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 43167292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).