N-cyclopentyl-3-phenoxyaniline

C17H19NO — CID 55191413

IUPACN-cyclopentyl-3-phenoxyaniline
SMILESc1ccc(Oc2cccc(NC3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO/c1-2-10-16(11-3-1)19-17-12-6-9-15(13-17)18-14-7-4-5-8-14/h1-3,6,9-14,18H,4-5,7-8H2
InChIKeyBZURFQMVAVCFLB-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.83
Rot. Bonds4

About N-cyclopentyl-3-phenoxyaniline

N-cyclopentyl-3-phenoxyaniline (PubChem CID 55191413) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-cyclopentyl-3-phenoxyaniline.

Molecular Properties

Compound NameN-cyclopentyl-3-phenoxyaniline
PubChem CID55191413
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-cyclopentyl-3-phenoxyaniline
SMILESc1ccc(Oc2cccc(NC3CCCC3)c2)cc1
InChIInChI=1S/C17H19NO/c1-2-10-16(11-3-1)19-17-12-6-9-15(13-17)18-14-7-4-5-8-14/h1-3,6,9-14,18H,4-5,7-8H2
InChIKeyBZURFQMVAVCFLB-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenoxyphenyl)oxetan-3-amine
CID 63622920
N-(3-phenoxyphenyl)oxolan-3-amine
CID 63335044
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-methoxy-3-phenoxyaniline
CID 90688975
4-(3-cyclopentyloxyanilino)cyclohexane-1-carboxylic acid
CID 122029500
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
1-cyclopropyl-3-(3-phenoxyphenyl)thiourea
CID 115570462
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181
3-tert-butyl-N-cyclopentylaniline
CID 176880114
N-(3-phenoxyphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 63456328

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-phenoxyaniline?
The IUPAC name of N-cyclopentyl-3-phenoxyaniline (CID 55191413) is N-cyclopentyl-3-phenoxyaniline.
What is the SMILES notation for N-cyclopentyl-3-phenoxyaniline?
The canonical SMILES for N-cyclopentyl-3-phenoxyaniline is c1ccc(Oc2cccc(NC3CCCC3)c2)cc1.
What is the InChIKey of N-cyclopentyl-3-phenoxyaniline?
The InChIKey is BZURFQMVAVCFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-10-16(11-3-1)19-17-12-6-9-15(13-17)18-14-7-4-5-8-14/h1-3,6,9-14,18H,4-5,7-8H2.
What are the key properties of N-cyclopentyl-3-phenoxyaniline?
N-cyclopentyl-3-phenoxyaniline has a molecular weight of 253.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-phenoxyaniline is sourced from PubChem (CID 55191413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).