3-chloro-4-(4-propan-2-ylphenoxy)aniline

C15H16ClNO — CID 26189720

IUPAC3-chloro-4-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)c1ccc(Oc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(17)9-14(15)16/h3-10H,17H2,1-2H3
InChIKeyHMPSHJMPNORPRO-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.84
Rot. Bonds3

About 3-chloro-4-(4-propan-2-ylphenoxy)aniline

3-chloro-4-(4-propan-2-ylphenoxy)aniline (PubChem CID 26189720) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-chloro-4-(4-propan-2-ylphenoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(4-propan-2-ylphenoxy)aniline
PubChem CID26189720
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-chloro-4-(4-propan-2-ylphenoxy)aniline
SMILESCC(C)c1ccc(Oc2ccc(N)cc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(17)9-14(15)16/h3-10H,17H2,1-2H3
InChIKeyHMPSHJMPNORPRO-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
5-amino-2-(4-propan-2-ylphenoxy)benzoic acid
CID 60988094
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
3-chloro-4-[4-(2-chloro-1,1,2-trifluoroethoxy)phenoxy]aniline
CID 70464458
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904
3-chloro-4-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63087240
3-chloro-4-[3-(2-methylpropoxy)phenoxy]aniline
CID 68669239
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-propan-2-ylphenoxy)aniline?
The IUPAC name of 3-chloro-4-(4-propan-2-ylphenoxy)aniline (CID 26189720) is 3-chloro-4-(4-propan-2-ylphenoxy)aniline.
What is the SMILES notation for 3-chloro-4-(4-propan-2-ylphenoxy)aniline?
The canonical SMILES for 3-chloro-4-(4-propan-2-ylphenoxy)aniline is CC(C)c1ccc(Oc2ccc(N)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-propan-2-ylphenoxy)aniline?
The InChIKey is HMPSHJMPNORPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-10(2)11-3-6-13(7-4-11)18-15-8-5-12(17)9-14(15)16/h3-10H,17H2,1-2H3.
What are the key properties of 3-chloro-4-(4-propan-2-ylphenoxy)aniline?
3-chloro-4-(4-propan-2-ylphenoxy)aniline has a molecular weight of 261.75 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-propan-2-ylphenoxy)aniline is sourced from PubChem (CID 26189720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).