[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol

C16H25NO2 — CID 62267034

IUPAC[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(CN(C)CC2(CO)CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17(12-16(13-18)9-3-4-10-16)11-14-5-7-15(19-2)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyDLMWVWSKVUHJJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds6

About [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol

[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol (PubChem CID 62267034) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
PubChem CID62267034
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(CN(C)CC2(CO)CCCC2)cc1
InChIInChI=1S/C16H25NO2/c1-17(12-16(13-18)9-3-4-10-16)11-14-5-7-15(19-2)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyDLMWVWSKVUHJJR-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
1-(4-methoxyphenyl)-N-methyl-N-[(3-propylpiperidin-3-yl)methyl]methanamine
CID 63132884
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65481122
2-[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopropyl]ethanethioamide
CID 65496384
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63739803
[1-[(4-methoxy-N-methylanilino)methyl]cyclobutyl]methanol
CID 115246801
[1-[[(2-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62265112
(3S)-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 95804626
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carboxylic acid
CID 62390142
[3-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976506
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243516
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]oxan-4-amine
CID 115295391

Frequently Asked Questions

What is the IUPAC name of [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol (CID 62267034) is [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol is COc1ccc(CN(C)CC2(CO)CCCC2)cc1.
What is the InChIKey of [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol?
The InChIKey is DLMWVWSKVUHJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-17(12-16(13-18)9-3-4-10-16)11-14-5-7-15(19-2)8-6-14/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol?
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 62267034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).