(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride

C12H18Cl3N — CID 171212560

IUPAC(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H17Cl2N.ClH/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14;/h4-5,7-8,12H,3,6,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyUDDMBQPCZPHLMF-UTONKHPSSA-N
MW282.64 g/mol
LogP4.85
Rot. Bonds4

About (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride

(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171212560) has the molecular formula C12H18Cl3N and a molecular weight of 282.64 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171212560
Molecular FormulaC12H18Cl3N
Molecular Weight282.64 g/mol
Exact Mass281.05
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCC(C)CC[C@@H](N)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C12H17Cl2N.ClH/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14;/h4-5,7-8,12H,3,6,15H2,1-2H3;1H/t12-;/m1./s1
InChIKeyUDDMBQPCZPHLMF-UTONKHPSSA-N
XLogP4.85
TPSA26.02 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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
1-(2-bromo-4-chlorophenyl)-4-methylpentan-1-amine
CID 103947027
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
1-(2,4-dichlorophenyl)ethanamine;ethane
CID 142953133
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride (CID 171212560) is (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride is CC(C)CC[C@@H](N)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is UDDMBQPCZPHLMF-UTONKHPSSA-N. The full InChI is InChI=1S/C12H17Cl2N.ClH/c1-8(2)3-6-12(15)10-5-4-9(13)7-11(10)14;/h4-5,7-8,12H,3,6,15H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride?
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 282.64 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171212560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).