2-(2,4-dichlorophenyl)hexan-3-amine

C12H17Cl2N — CID 83048374

IUPAC2-(2,4-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-12(15)8(2)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyUMQPSLJWNTXJCM-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.22
Rot. Bonds4

About 2-(2,4-dichlorophenyl)hexan-3-amine

2-(2,4-dichlorophenyl)hexan-3-amine (PubChem CID 83048374) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)hexan-3-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)hexan-3-amine
PubChem CID83048374
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2-(2,4-dichlorophenyl)hexan-3-amine
SMILESCCCC(N)C(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-4-12(15)8(2)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3
InChIKeyUMQPSLJWNTXJCM-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
2,4-dichloro-1-octan-4-ylbenzene
CID 130458080
2-(4-bromo-2-fluorophenyl)hexan-3-amine
CID 83048380
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
1-(2,5-dichlorophenyl)-2-methylpentan-1-amine
CID 43167292
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)hexan-3-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)hexan-3-amine (CID 83048374) is 2-(2,4-dichlorophenyl)hexan-3-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)hexan-3-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)hexan-3-amine is CCCC(N)C(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)hexan-3-amine?
The InChIKey is UMQPSLJWNTXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-4-12(15)8(2)10-6-5-9(13)7-11(10)14/h5-8,12H,3-4,15H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)hexan-3-amine?
2-(2,4-dichlorophenyl)hexan-3-amine has a molecular weight of 246.18 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)hexan-3-amine is sourced from PubChem (CID 83048374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).