1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol

C15H23NO2 — CID 103157166

IUPAC1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(O)CC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h6-9,12,14,16-17H,2-5,10-11H2,1H3
InChIKeyZILRAJYBKPGLLG-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol

1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol (PubChem CID 103157166) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
PubChem CID103157166
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(O)CC2CCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h6-9,12,14,16-17H,2-5,10-11H2,1H3
InChIKeyZILRAJYBKPGLLG-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
CID 103157053
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
CID 103157568
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
methyl 4-(3-cyclopentyl-2-hydroxypropoxy)benzoate
CID 103156169
1-hexoxy-3-(4-methoxyanilino)propan-2-ol
CID 60900152

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol (CID 103157166) is 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol is COc1ccc(NCC(O)CC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol?
The InChIKey is ZILRAJYBKPGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-15-8-6-13(7-9-15)16-11-14(17)10-12-4-2-3-5-12/h6-9,12,14,16-17H,2-5,10-11H2,1H3.
What are the key properties of 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol?
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol is sourced from PubChem (CID 103157166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).