2-(4-aminobutyl)-6-chloroaniline

C10H15ClN2 — CID 105451896

IUPAC2-(4-aminobutyl)-6-chloroaniline
SMILESNCCCCc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6H,1-2,4,7,12-13H2
InChIKeyIADXONMCMJFMEU-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.20
Rot. Bonds4

About 2-(4-aminobutyl)-6-chloroaniline

2-(4-aminobutyl)-6-chloroaniline (PubChem CID 105451896) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-(4-aminobutyl)-6-chloroaniline.

Molecular Properties

Compound Name2-(4-aminobutyl)-6-chloroaniline
PubChem CID105451896
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-(4-aminobutyl)-6-chloroaniline
SMILESNCCCCc1cccc(Cl)c1N
InChIInChI=1S/C10H15ClN2/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6H,1-2,4,7,12-13H2
InChIKeyIADXONMCMJFMEU-UHFFFAOYSA-N
XLogP2.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
4-(3-chloro-1-methylindol-4-yl)butan-1-amine
CID 117345887
8-naphthalen-1-yloctan-1-amine
CID 100987116
2-chloro-6-(cyclopropylmethyl)aniline
CID 105439830
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
6-amino-1-(2-chlorophenyl)hexan-2-one
CID 116572051
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
2-amino-3-chlorophenol
CID 19828962
4-isoquinolin-8-ylbutan-1-amine
CID 82577641

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-6-chloroaniline?
The IUPAC name of 2-(4-aminobutyl)-6-chloroaniline (CID 105451896) is 2-(4-aminobutyl)-6-chloroaniline.
What is the SMILES notation for 2-(4-aminobutyl)-6-chloroaniline?
The canonical SMILES for 2-(4-aminobutyl)-6-chloroaniline is NCCCCc1cccc(Cl)c1N.
What is the InChIKey of 2-(4-aminobutyl)-6-chloroaniline?
The InChIKey is IADXONMCMJFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c11-9-6-3-5-8(10(9)13)4-1-2-7-12/h3,5-6H,1-2,4,7,12-13H2.
What are the key properties of 2-(4-aminobutyl)-6-chloroaniline?
2-(4-aminobutyl)-6-chloroaniline has a molecular weight of 198.70 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-6-chloroaniline is sourced from PubChem (CID 105451896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).