[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol

C16H25NO2 — CID 103700395

IUPAC[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCCCOc1ccc(CNC2CCCC2CO)cc1
InChIInChI=1S/C16H25NO2/c1-2-10-19-15-8-6-13(7-9-15)11-17-16-5-3-4-14(16)12-18/h6-9,14,16-18H,2-5,10-12H2,1H3
InChIKeyYTUFRPINQQJPOF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.73
Rot. Bonds7

About [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol

[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol (PubChem CID 103700395) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
PubChem CID103700395
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol
SMILESCCCOc1ccc(CNC2CCCC2CO)cc1
InChIInChI=1S/C16H25NO2/c1-2-10-19-15-8-6-13(7-9-15)11-17-16-5-3-4-14(16)12-18/h6-9,14,16-18H,2-5,10-12H2,1H3
InChIKeyYTUFRPINQQJPOF-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
N-ethyl-2-[4-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]phenoxy]acetamide
CID 111440202
[2-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]cyclohexyl]methanol
CID 111440232
[2-[(4-cyclopropylphenyl)methylamino]cyclopentyl]methanol
CID 106359397
2-methyl-N-[(4-pentoxyphenyl)methyl]cyclopentan-1-amine
CID 63462119
3-methyl-N-[(4-propoxyphenyl)methyl]cyclohexan-1-amine
CID 43317434
[2-(2-phenoxyethylamino)cyclopentyl]methanol
CID 106360671
2-(chloromethyl)-N-[(4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 106364903
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
[2-[(3,4-dibromophenyl)methylamino]cyclohexyl]methanol
CID 113255328
N-[(4-propoxyphenyl)methyl]thiolan-3-amine
CID 103701552

Frequently Asked Questions

What is the IUPAC name of [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol?
The IUPAC name of [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol (CID 103700395) is [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol is CCCOc1ccc(CNC2CCCC2CO)cc1.
What is the InChIKey of [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol?
The InChIKey is YTUFRPINQQJPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-10-19-15-8-6-13(7-9-15)11-17-16-5-3-4-14(16)12-18/h6-9,14,16-18H,2-5,10-12H2,1H3.
What are the key properties of [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol?
[2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propoxyphenyl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 103700395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).