N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride

C11H16Cl3N — CID 17293997

IUPACN-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-8(2)14-7-9-4-5-10(12)11(13)6-9;/h4-6,8,14H,3,7H2,1-2H3;1H
InChIKeyNLIKEELCQMXRRK-UHFFFAOYSA-N
MW268.62 g/mol
LogP4.30
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride

N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride (PubChem CID 17293997) has the molecular formula C11H16Cl3N and a molecular weight of 268.62 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
PubChem CID17293997
Molecular FormulaC11H16Cl3N
Molecular Weight268.62 g/mol
Exact Mass267.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C11H15Cl2N.ClH/c1-3-8(2)14-7-9-4-5-10(12)11(13)6-9;/h4-6,8,14H,3,7H2,1-2H3;1H
InChIKeyNLIKEELCQMXRRK-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 107859511
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
N-[(3,4-dichlorophenyl)methyl]pent-4-yn-2-amine
CID 115660206
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490
N-[(3,5-dichlorophenyl)methyl]butan-2-amine
CID 46736337
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
(2S)-N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)butan-2-amine
CID 784034
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride (CID 17293997) is N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride is CCC(C)NCc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride?
The InChIKey is NLIKEELCQMXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N.ClH/c1-3-8(2)14-7-9-4-5-10(12)11(13)6-9;/h4-6,8,14H,3,7H2,1-2H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride has a molecular weight of 268.62 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 17293997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).