4-(1-amino-2-methylpropyl)-2-chloroaniline

C10H15ClN2 — CID 55271979

IUPAC4-(1-amino-2-methylpropyl)-2-chloroaniline
SMILESCC(C)C(N)c1ccc(N)c(Cl)c1
InChIInChI=1S/C10H15ClN2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,10H,12-13H2,1-2H3
InChIKeyGZLOWYJVIVEXQT-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.58
Rot. Bonds2

About 4-(1-amino-2-methylpropyl)-2-chloroaniline

4-(1-amino-2-methylpropyl)-2-chloroaniline (PubChem CID 55271979) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropyl)-2-chloroaniline.

Molecular Properties

Compound Name4-(1-amino-2-methylpropyl)-2-chloroaniline
PubChem CID55271979
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(1-amino-2-methylpropyl)-2-chloroaniline
SMILESCC(C)C(N)c1ccc(N)c(Cl)c1
InChIInChI=1S/C10H15ClN2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,10H,12-13H2,1-2H3
InChIKeyGZLOWYJVIVEXQT-UHFFFAOYSA-N
XLogP2.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-chlorophenyl)ethanol
CID 126971129
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
5-(1-amino-2-methylpropyl)-2-fluoroaniline
CID 55283419
(1S)-1-(4-amino-3-chlorophenyl)ethane-1,2-diamine
CID 66516675
4-(1-amino-2-methylpropyl)aniline
CID 55283645
3-amino-3-(4-amino-3-chlorophenyl)propanenitrile
CID 55268479
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
(1S)-1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130714020
1-(2-chloro-4-pyridinyl)-2-methylpropan-1-amine
CID 55294166
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropyl)-2-chloroaniline?
The IUPAC name of 4-(1-amino-2-methylpropyl)-2-chloroaniline (CID 55271979) is 4-(1-amino-2-methylpropyl)-2-chloroaniline.
What is the SMILES notation for 4-(1-amino-2-methylpropyl)-2-chloroaniline?
The canonical SMILES for 4-(1-amino-2-methylpropyl)-2-chloroaniline is CC(C)C(N)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-(1-amino-2-methylpropyl)-2-chloroaniline?
The InChIKey is GZLOWYJVIVEXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-6(2)10(13)7-3-4-9(12)8(11)5-7/h3-6,10H,12-13H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropyl)-2-chloroaniline?
4-(1-amino-2-methylpropyl)-2-chloroaniline has a molecular weight of 198.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropyl)-2-chloroaniline is sourced from PubChem (CID 55271979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).