[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol

C17H27NO3 — CID 115358422

IUPAC[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(C(C)NCC2(CO)CCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-13(18-11-17(12-19)8-4-5-9-17)15-7-6-14(20-2)10-16(15)21-3/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyWMNVFFSFGMQPRX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.91
Rot. Bonds7

About [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol

[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 115358422) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID115358422
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCOc1ccc(C(C)NCC2(CO)CCCC2)c(OC)c1
InChIInChI=1S/C17H27NO3/c1-13(18-11-17(12-19)8-4-5-9-17)15-7-6-14(20-2)10-16(15)21-3/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyWMNVFFSFGMQPRX-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
[1-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]cyclohexyl]methanol
CID 81419393
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,4-dimethoxybenzenesulfonamide
CID 110416815
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
3-[1-(2,4-dimethoxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66169659
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol (CID 115358422) is [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol is COc1ccc(C(C)NCC2(CO)CCCC2)c(OC)c1.
What is the InChIKey of [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is WMNVFFSFGMQPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-11-17(12-19)8-4-5-9-17)15-7-6-14(20-2)10-16(15)21-3/h6-7,10,13,18-19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).