1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol

C16H25NO3 — CID 103157053

IUPAC1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
SMILESCOc1cc(NCC(O)CC2CCCC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-19-15-8-13(9-16(10-15)20-2)17-11-14(18)7-12-5-3-4-6-12/h8-10,12,14,17-18H,3-7,11H2,1-2H3
InChIKeyDUJAXQDKHVQMFR-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.06
Rot. Bonds7

About 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol

1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol (PubChem CID 103157053) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
PubChem CID103157053
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
SMILESCOc1cc(NCC(O)CC2CCCC2)cc(OC)c1
InChIInChI=1S/C16H25NO3/c1-19-15-8-13(9-16(10-15)20-2)17-11-14(18)7-12-5-3-4-6-12/h8-10,12,14,17-18H,3-7,11H2,1-2H3
InChIKeyDUJAXQDKHVQMFR-UHFFFAOYSA-N
XLogP3.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
CID 103157568
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
3-N-(cyclopentylmethyl)-5-methoxybenzene-1,3-diamine
CID 80722168
4-[3-(3,5-dimethoxyanilino)-2-hydroxypropyl]-1,3-dihydroimidazole-2-thione
CID 175538812
N-(1-cyclopentylethyl)-3,5-dimethoxyaniline
CID 62632607
1-cyclopentyl-3-(2,5-dibromoanilino)propan-2-ol
CID 103157464
1-cyclopentyl-3-(2,6-dichloroanilino)propan-2-ol
CID 103157934
2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)ethanol
CID 110922411

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol (CID 103157053) is 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol is COc1cc(NCC(O)CC2CCCC2)cc(OC)c1.
What is the InChIKey of 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol?
The InChIKey is DUJAXQDKHVQMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-15-8-13(9-16(10-15)20-2)17-11-14(18)7-12-5-3-4-6-12/h8-10,12,14,17-18H,3-7,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol?
1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol is sourced from PubChem (CID 103157053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).