2-(2,4-dichlorophenyl)-3-methylpentan-1-amine

C12H17Cl2N — CID 79446296

IUPAC2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-8(2)11(7-15)10-5-4-9(13)6-12(10)14/h4-6,8,11H,3,7,15H2,1-2H3
InChIKeyFRMGTIOTBQWGID-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine

2-(2,4-dichlorophenyl)-3-methylpentan-1-amine (PubChem CID 79446296) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
PubChem CID79446296
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2-(2,4-dichlorophenyl)-3-methylpentan-1-amine
SMILESCCC(C)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H17Cl2N/c1-3-8(2)11(7-15)10-5-4-9(13)6-12(10)14/h4-6,8,11H,3,7,15H2,1-2H3
InChIKeyFRMGTIOTBQWGID-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
3-amino-2-(2,4-dichlorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65185357
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
3-amino-2-(2,4-dichlorophenyl)-1-(5-ethylfuran-2-yl)propan-1-ol
CID 79083794
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65186212
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine (CID 79446296) is 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine is CCC(C)C(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine?
The InChIKey is FRMGTIOTBQWGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-3-8(2)11(7-15)10-5-4-9(13)6-12(10)14/h4-6,8,11H,3,7,15H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-methylpentan-1-amine?
2-(2,4-dichlorophenyl)-3-methylpentan-1-amine has a molecular weight of 246.18 g/mol, XLogP of 4.08, 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)-3-methylpentan-1-amine is sourced from PubChem (CID 79446296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).