4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline

C10H15ClN2 — CID 69044603

IUPAC4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
SMILESCC(C)(CN)c1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,6,12-13H2,1-2H3
InChIKeyIKMRBFFMNNGFJU-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.16
Rot. Bonds2

About 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline

4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline (PubChem CID 69044603) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
PubChem CID69044603
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline
SMILESCC(C)(CN)c1ccc(N)cc1Cl
InChIInChI=1S/C10H15ClN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,6,12-13H2,1-2H3
InChIKeyIKMRBFFMNNGFJU-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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

2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
CID 83699928
3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 174508163
2-(6-chloro-1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 105424248
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
4-chloro-3-(trichloromethyl)aniline
CID 827546
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(3,4-dichlorophenyl)-2-methylpropan-1-amine
CID 13290303
2-(4-tert-butyl-2-methylphenyl)-2-methylpropan-1-amine
CID 82472490
3,4-dichloroaniline
CID 7257
1-N-(2-aminoethyl)-2-chloro-1-N-methylbenzene-1,4-diamine
CID 82506047
2-(2,4-dichlorophenyl)-2-methylpent-4-en-1-amine
CID 117049327
N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
CID 67545057

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline (CID 69044603) is 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline is CC(C)(CN)c1ccc(N)cc1Cl.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline?
The InChIKey is IKMRBFFMNNGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-10(2,6-12)8-4-3-7(13)5-9(8)11/h3-5H,6,12-13H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline?
4-(1-amino-2-methylpropan-2-yl)-3-chloroaniline has a molecular weight of 198.70 g/mol, XLogP of 2.16, 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-methylpropan-2-yl)-3-chloroaniline is sourced from PubChem (CID 69044603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).