(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride

C10H14Cl3N — CID 171232141

IUPAC(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-3-10(13)8-5-4-7(11)6-9(8)12;/h4-6,10H,2-3,13H2,1H3;1H/t10-;/m0./s1
InChIKeyVPITZHYAJHPFKE-PPHPATTJSA-N
MW254.59 g/mol
LogP4.22
Rot. Bonds3

About (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride

(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride (PubChem CID 171232141) has the molecular formula C10H14Cl3N and a molecular weight of 254.59 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
PubChem CID171232141
Molecular FormulaC10H14Cl3N
Molecular Weight254.59 g/mol
Exact Mass253.02
IUPAC Name(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-3-10(13)8-5-4-7(11)6-9(8)12;/h4-6,10H,2-3,13H2,1H3;1H/t10-;/m0./s1
InChIKeyVPITZHYAJHPFKE-PPHPATTJSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.59
LogP ≤ 54.22
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
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207522
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
2-(2,4-dichlorophenyl)hexan-3-amine
CID 83048374
1-(2,3,4-trichlorophenyl)butan-1-amine
CID 82550973
1-(2,4-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028050
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
(1R)-1-(4-bromo-2-chlorophenyl)pentan-1-amine;hydrochloride
CID 171204059
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride (CID 171232141) is (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride is CCC[C@H](N)c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride?
The InChIKey is VPITZHYAJHPFKE-PPHPATTJSA-N. The full InChI is InChI=1S/C10H13Cl2N.ClH/c1-2-3-10(13)8-5-4-7(11)6-9(8)12;/h4-6,10H,2-3,13H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride?
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride has a molecular weight of 254.59 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171232141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).