2-butyl-N-methylaniline;hydrochloride

C11H18ClN — CID 67695617

IUPAC2-butyl-N-methylaniline;hydrochloride
SMILESCCCCc1ccccc1NC.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-4-7-10-8-5-6-9-11(10)12-2;/h5-6,8-9,12H,3-4,7H2,1-2H3;1H
InChIKeyFFYKOZQJLSFLRX-UHFFFAOYSA-N
MW199.73 g/mol
LogP3.49
Rot. Bonds4

About 2-butyl-N-methylaniline;hydrochloride

2-butyl-N-methylaniline;hydrochloride (PubChem CID 67695617) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is 2-butyl-N-methylaniline;hydrochloride.

Molecular Properties

Compound Name2-butyl-N-methylaniline;hydrochloride
PubChem CID67695617
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC Name2-butyl-N-methylaniline;hydrochloride
SMILESCCCCc1ccccc1NC.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-4-7-10-8-5-6-9-11(10)12-2;/h5-6,8-9,12H,3-4,7H2,1-2H3;1H
InChIKeyFFYKOZQJLSFLRX-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-butyl-N-methylaniline;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

4-butyl-N-methylnaphthalen-1-amine
CID 174691031
2-butyl-N-ethynylaniline
CID 143963108
CID 159940559
CID 159940559
2-(2-chloroethyl)-N-methylaniline
CID 54331178
N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
CID 143294633
2-(2-butylanilino)ethanol
CID 139597188
2-hept-6-enyl-N-methylaniline
CID 166715276
zinc bis(N-(2-butylphenyl)carbamodithioate)
CID 87339212
(2-butylphenyl)carbamodithioic acid;tungsten
CID 174689067
2-pentyl-N-phenylaniline
CID 20516677
CID 173400823
CID 173400823
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-methylaniline;hydrochloride?
The IUPAC name of 2-butyl-N-methylaniline;hydrochloride (CID 67695617) is 2-butyl-N-methylaniline;hydrochloride.
What is the SMILES notation for 2-butyl-N-methylaniline;hydrochloride?
The canonical SMILES for 2-butyl-N-methylaniline;hydrochloride is CCCCc1ccccc1NC.Cl.
What is the InChIKey of 2-butyl-N-methylaniline;hydrochloride?
The InChIKey is FFYKOZQJLSFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-3-4-7-10-8-5-6-9-11(10)12-2;/h5-6,8-9,12H,3-4,7H2,1-2H3;1H.
What are the key properties of 2-butyl-N-methylaniline;hydrochloride?
2-butyl-N-methylaniline;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-methylaniline;hydrochloride is sourced from PubChem (CID 67695617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).