1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride

C10H14Cl3N — CID 170888463

IUPAC1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-8(13)5-7-3-4-9(11)10(12)6-7;/h3-4,6,8H,2,5,13H2,1H3;1H
InChIKeyWWHVHRTZKQAWBE-UHFFFAOYSA-N
MW254.59 g/mol
LogP3.69
Rot. Bonds3

About 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride

1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride (PubChem CID 170888463) has the molecular formula C10H14Cl3N and a molecular weight of 254.59 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
PubChem CID170888463
Molecular FormulaC10H14Cl3N
Molecular Weight254.59 g/mol
Exact Mass253.02
IUPAC Name1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C10H13Cl2N.ClH/c1-2-8(13)5-7-3-4-9(11)10(12)6-7;/h3-4,6,8H,2,5,13H2,1H3;1H
InChIKeyWWHVHRTZKQAWBE-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(3,4-dichlorophenyl)pentan-3-amine
CID 43370516
1-(3,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 63415619
1-(4-chloro-3-ethoxyphenyl)butan-2-amine
CID 118252081
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
1-(3,4-dichlorophenyl)-3-methoxypentan-2-amine
CID 116715141
1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63415878
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-[3-chloro-4-(methoxymethoxy)phenyl]butan-2-amine
CID 65364855
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride (CID 170888463) is 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride is CCC(N)Cc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride?
The InChIKey is WWHVHRTZKQAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N.ClH/c1-2-8(13)5-7-3-4-9(11)10(12)6-7;/h3-4,6,8H,2,5,13H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride?
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride has a molecular weight of 254.59 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170888463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).