2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol

C16H25NO3 — CID 82314361

IUPAC2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NC2CCCC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-11(17-13-6-4-5-7-13)16(18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16-18H,4-7H2,1-3H3
InChIKeyMGJNGOZSPMMQNK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.66
Rot. Bonds6

About 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol

2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol (PubChem CID 82314361) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
PubChem CID82314361
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(C)NC2CCCC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-11(17-13-6-4-5-7-13)16(18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16-18H,4-7H2,1-3H3
InChIKeyMGJNGOZSPMMQNK-UHFFFAOYSA-N
XLogP2.66
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82312791
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
2-(cyclohexylamino)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 82315043
(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
CID 10518826
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
(1R,2S)-2-amino-1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 171162193
2-(cyclohexylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol
CID 70554945

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol (CID 82314361) is 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol is COc1ccc(C(O)C(C)NC2CCCC2)cc1OC.
What is the InChIKey of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is MGJNGOZSPMMQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(17-13-6-4-5-7-13)16(18)12-8-9-14(19-2)15(10-12)20-3/h8-11,13,16-18H,4-7H2,1-3H3.
What are the key properties of 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol?
2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82314361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).