5-(1-aminopropan-2-yl)-2-chloroaniline

C9H13ClN2 — CID 84659886

IUPAC5-(1-aminopropan-2-yl)-2-chloroaniline
SMILESCC(CN)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3
InChIKeyYMEIXEKZSJOTEQ-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.98
Rot. Bonds2

About 5-(1-aminopropan-2-yl)-2-chloroaniline

5-(1-aminopropan-2-yl)-2-chloroaniline (PubChem CID 84659886) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-(1-aminopropan-2-yl)-2-chloroaniline.

Molecular Properties

Compound Name5-(1-aminopropan-2-yl)-2-chloroaniline
PubChem CID84659886
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-(1-aminopropan-2-yl)-2-chloroaniline
SMILESCC(CN)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3
InChIKeyYMEIXEKZSJOTEQ-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.98
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

(1S)-1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 66516677
5-(1-aminopropan-2-yl)-2-bromoaniline
CID 84692433
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
5-[1-(butylamino)propan-2-yl]-2-chloroaniline
CID 130426232
5-(1-aminopropyl)-2-chloroaniline
CID 67750170
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
2-(4-butan-2-yl-3-chlorophenyl)propan-1-amine
CID 117324646
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
(2S)-3-(3-amino-4-chlorophenyl)-2-methylpentanoic acid
CID 67215463
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropan-2-yl)-2-chloroaniline?
The IUPAC name of 5-(1-aminopropan-2-yl)-2-chloroaniline (CID 84659886) is 5-(1-aminopropan-2-yl)-2-chloroaniline.
What is the SMILES notation for 5-(1-aminopropan-2-yl)-2-chloroaniline?
The canonical SMILES for 5-(1-aminopropan-2-yl)-2-chloroaniline is CC(CN)c1ccc(Cl)c(N)c1.
What is the InChIKey of 5-(1-aminopropan-2-yl)-2-chloroaniline?
The InChIKey is YMEIXEKZSJOTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(5-11)7-2-3-8(10)9(12)4-7/h2-4,6H,5,11-12H2,1H3.
What are the key properties of 5-(1-aminopropan-2-yl)-2-chloroaniline?
5-(1-aminopropan-2-yl)-2-chloroaniline has a molecular weight of 184.67 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropan-2-yl)-2-chloroaniline is sourced from PubChem (CID 84659886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).