5-(1-aminopropyl)-2-chloroaniline

C9H13ClN2 — CID 67750170

IUPAC5-(1-aminopropyl)-2-chloroaniline
SMILESCCC(N)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2/c1-2-8(11)6-3-4-7(10)9(12)5-6/h3-5,8H,2,11-12H2,1H3
InChIKeyVXTLGQITXBBILR-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.33
Rot. Bonds2

About 5-(1-aminopropyl)-2-chloroaniline

5-(1-aminopropyl)-2-chloroaniline (PubChem CID 67750170) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-(1-aminopropyl)-2-chloroaniline.

Molecular Properties

Compound Name5-(1-aminopropyl)-2-chloroaniline
PubChem CID67750170
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-(1-aminopropyl)-2-chloroaniline
SMILESCCC(N)c1ccc(Cl)c(N)c1
InChIInChI=1S/C9H13ClN2/c1-2-8(11)6-3-4-7(10)9(12)5-6/h3-5,8H,2,11-12H2,1H3
InChIKeyVXTLGQITXBBILR-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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
1-(3-amino-4-chlorophenyl)ethane-1,2-diamine
CID 77130858
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
(1R)-1-(4-bromo-3-chlorophenyl)propan-1-amine
CID 130699468
5-[(1S)-1-aminopropyl]-2-bromoaniline
CID 130649492
5-(1-amino-2,2-dimethylpropyl)-2-chloroaniline
CID 130042351
5-(1-aminopropan-2-yl)-2-chloroaniline
CID 84659886
3-(3-amino-4-chlorophenyl)pentanoic acid
CID 67215699
(2S)-3-(3-amino-4-chlorophenyl)-2-methylpentanoic acid
CID 67215463
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-2-chloroaniline?
The IUPAC name of 5-(1-aminopropyl)-2-chloroaniline (CID 67750170) is 5-(1-aminopropyl)-2-chloroaniline.
What is the SMILES notation for 5-(1-aminopropyl)-2-chloroaniline?
The canonical SMILES for 5-(1-aminopropyl)-2-chloroaniline is CCC(N)c1ccc(Cl)c(N)c1.
What is the InChIKey of 5-(1-aminopropyl)-2-chloroaniline?
The InChIKey is VXTLGQITXBBILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-8(11)6-3-4-7(10)9(12)5-6/h3-5,8H,2,11-12H2,1H3.
What are the key properties of 5-(1-aminopropyl)-2-chloroaniline?
5-(1-aminopropyl)-2-chloroaniline has a molecular weight of 184.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropyl)-2-chloroaniline is sourced from PubChem (CID 67750170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).