4-(1-aminopropan-2-yloxy)-3-chloroaniline

C9H13ClN2O — CID 82506183

IUPAC4-(1-aminopropan-2-yloxy)-3-chloroaniline
SMILESCC(CN)Oc1ccc(N)cc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(5-11)13-9-3-2-7(12)4-8(9)10/h2-4,6H,5,11-12H2,1H3
InChIKeyRBDYVILXKNYBLO-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.65
Rot. Bonds3

About 4-(1-aminopropan-2-yloxy)-3-chloroaniline

4-(1-aminopropan-2-yloxy)-3-chloroaniline (PubChem CID 82506183) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yloxy)-3-chloroaniline.

Molecular Properties

Compound Name4-(1-aminopropan-2-yloxy)-3-chloroaniline
PubChem CID82506183
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-(1-aminopropan-2-yloxy)-3-chloroaniline
SMILESCC(CN)Oc1ccc(N)cc1Cl
InChIInChI=1S/C9H13ClN2O/c1-6(5-11)13-9-3-2-7(12)4-8(9)10/h2-4,6H,5,11-12H2,1H3
InChIKeyRBDYVILXKNYBLO-UHFFFAOYSA-N
XLogP1.65
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[1-(diethylamino)propan-2-yloxy]aniline
CID 68817646
4-(2,4-dichlorophenoxy)pentan-1-amine
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ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
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2-(4-bromo-2-chloro-5-fluorophenoxy)propan-1-amine
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3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
3-chloro-4-[1-(1H-imidazol-2-yl)ethoxy]aniline
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N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
3-chloro-4-nonoxyaniline
CID 43129005
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-chloro-4-[3-(2-methylpropoxy)phenoxy]aniline
CID 68669239
1-(4-amino-2-chlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089676

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yloxy)-3-chloroaniline?
The IUPAC name of 4-(1-aminopropan-2-yloxy)-3-chloroaniline (CID 82506183) is 4-(1-aminopropan-2-yloxy)-3-chloroaniline.
What is the SMILES notation for 4-(1-aminopropan-2-yloxy)-3-chloroaniline?
The canonical SMILES for 4-(1-aminopropan-2-yloxy)-3-chloroaniline is CC(CN)Oc1ccc(N)cc1Cl.
What is the InChIKey of 4-(1-aminopropan-2-yloxy)-3-chloroaniline?
The InChIKey is RBDYVILXKNYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6(5-11)13-9-3-2-7(12)4-8(9)10/h2-4,6H,5,11-12H2,1H3.
What are the key properties of 4-(1-aminopropan-2-yloxy)-3-chloroaniline?
4-(1-aminopropan-2-yloxy)-3-chloroaniline has a molecular weight of 200.67 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yloxy)-3-chloroaniline is sourced from PubChem (CID 82506183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).