4-(4-chloro-2-methylphenyl)butan-1-amine

C11H16ClN — CID 82282107

IUPAC4-(4-chloro-2-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)ccc1CCCCN
InChIInChI=1S/C11H16ClN/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyICGQDRYZMHSVLR-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.93
Rot. Bonds4

About 4-(4-chloro-2-methylphenyl)butan-1-amine

4-(4-chloro-2-methylphenyl)butan-1-amine (PubChem CID 82282107) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)butan-1-amine
PubChem CID82282107
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name4-(4-chloro-2-methylphenyl)butan-1-amine
SMILESCc1cc(Cl)ccc1CCCCN
InChIInChI=1S/C11H16ClN/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3
InChIKeyICGQDRYZMHSVLR-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
6-(2-chloro-4,5-dimethylphenyl)hexan-1-amine
CID 115485082
4-(5-chloro-2-methylsulfanylphenyl)butan-1-amine
CID 117331778
4-chloro-1-(iodomethyl)-2-methylbenzene
CID 91883696
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
3-[4-chloro-2-(methoxymethyl)phenyl]propan-1-amine
CID 117304754
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
CID 82577739
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
N'-[(2,4-dichlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 115201351

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)butan-1-amine?
The IUPAC name of 4-(4-chloro-2-methylphenyl)butan-1-amine (CID 82282107) is 4-(4-chloro-2-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)butan-1-amine?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)butan-1-amine is Cc1cc(Cl)ccc1CCCCN.
What is the InChIKey of 4-(4-chloro-2-methylphenyl)butan-1-amine?
The InChIKey is ICGQDRYZMHSVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-9-8-11(12)6-5-10(9)4-2-3-7-13/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of 4-(4-chloro-2-methylphenyl)butan-1-amine?
4-(4-chloro-2-methylphenyl)butan-1-amine has a molecular weight of 197.71 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)butan-1-amine is sourced from PubChem (CID 82282107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).