[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol

C16H25NO3 — CID 115358427

IUPAC[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(CNCC2(CO)CCCC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-19-14-6-5-13(9-15(14)20-2)10-17-11-16(12-18)7-3-4-8-16/h5-6,9,17-18H,3-4,7-8,10-12H2,1-2H3
InChIKeyAQACWEFYVFQNIU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds7

About [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol

[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol (PubChem CID 115358427) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
PubChem CID115358427
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(CNCC2(CO)CCCC2)cc1OC
InChIInChI=1S/C16H25NO3/c1-19-14-6-5-13(9-15(14)20-2)10-17-11-16(12-18)7-3-4-8-16/h5-6,9,17-18H,3-4,7-8,10-12H2,1-2H3
InChIKeyAQACWEFYVFQNIU-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 113313423
1-[[(3,4-dimethoxyphenyl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912471
[1-[[(4-methoxy-3-methylsulfanylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 111579392
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
[1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358964
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[3-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248969

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol (CID 115358427) is [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol is COc1ccc(CNCC2(CO)CCCC2)cc1OC.
What is the InChIKey of [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
The InChIKey is AQACWEFYVFQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-19-14-6-5-13(9-15(14)20-2)10-17-11-16(12-18)7-3-4-8-16/h5-6,9,17-18H,3-4,7-8,10-12H2,1-2H3.
What are the key properties of [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol?
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).