3-(1-amino-2-methylpropyl)-4-chloroaniline

C10H15ClN2 — CID 55272175

IUPAC3-(1-amino-2-methylpropyl)-4-chloroaniline
SMILESCC(C)C(N)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,12-13H2,1-2H3
InChIKeyBIIONKGZBKSIPN-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.58
Rot. Bonds2

About 3-(1-amino-2-methylpropyl)-4-chloroaniline

3-(1-amino-2-methylpropyl)-4-chloroaniline (PubChem CID 55272175) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropyl)-4-chloroaniline.

Molecular Properties

Compound Name3-(1-amino-2-methylpropyl)-4-chloroaniline
PubChem CID55272175
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(1-amino-2-methylpropyl)-4-chloroaniline
SMILESCC(C)C(N)c1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,12-13H2,1-2H3
InChIKeyBIIONKGZBKSIPN-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

4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
CID 55275534
3-[(1R)-1-amino-2-methylpropyl]-4-chlorobenzonitrile
CID 130706391
(2S)-2-amino-2-(5-amino-2-chlorophenyl)acetic acid
CID 66510542
(1R)-1-(2-chloro-4-methylphenyl)-2-methylpropan-1-amine
CID 55273772
3-[(1S)-1-aminobut-3-enyl]-4-chloroaniline
CID 131122892
1-(2,5-dichlorophenyl)-2-methoxy-3-methylbutan-1-amine
CID 116719639
(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
1-(5-amino-2-chlorophenyl)-3-chloropropane-1,2-diol
CID 171861726
2-chloroethyl 2-(5-amino-2-chlorophenyl)propanoate
CID 70241837
3,4-dichloroaniline
CID 7257
(1R,2S)-1-amino-1-(5-bromo-2-chlorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171262154
(1S,2R)-1-amino-1-(5-bromo-2-chlorophenyl)propan-2-ol
CID 130649262

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropyl)-4-chloroaniline?
The IUPAC name of 3-(1-amino-2-methylpropyl)-4-chloroaniline (CID 55272175) is 3-(1-amino-2-methylpropyl)-4-chloroaniline.
What is the SMILES notation for 3-(1-amino-2-methylpropyl)-4-chloroaniline?
The canonical SMILES for 3-(1-amino-2-methylpropyl)-4-chloroaniline is CC(C)C(N)c1cc(N)ccc1Cl.
What is the InChIKey of 3-(1-amino-2-methylpropyl)-4-chloroaniline?
The InChIKey is BIIONKGZBKSIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-6(2)10(13)8-5-7(12)3-4-9(8)11/h3-6,10H,12-13H2,1-2H3.
What are the key properties of 3-(1-amino-2-methylpropyl)-4-chloroaniline?
3-(1-amino-2-methylpropyl)-4-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 3-(1-amino-2-methylpropyl)-4-chloroaniline is sourced from PubChem (CID 55272175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).