[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol

C22H29NO3 — CID 154928225

IUPAC[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H29NO3/c1-25-20-10-6-17(7-11-20)14-23(22-5-3-4-19(22)16-24)15-18-8-12-21(26-2)13-9-18/h6-13,19,22,24H,3-5,14-16H2,1-2H3/t19-,22+/m1/s1
InChIKeyBCOGVNOFQWBWLV-KNQAVFIVSA-N
MW355.48 g/mol
LogP3.87
Rot. Bonds8

About [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol

[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol (PubChem CID 154928225) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol
PubChem CID154928225
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CCC[C@@H]2CO)cc1
InChIInChI=1S/C22H29NO3/c1-25-20-10-6-17(7-11-20)14-23(22-5-3-4-19(22)16-24)15-18-8-12-21(26-2)13-9-18/h6-13,19,22,24H,3-5,14-16H2,1-2H3/t19-,22+/m1/s1
InChIKeyBCOGVNOFQWBWLV-KNQAVFIVSA-N
XLogP3.87
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
[2-[(4-methoxyphenyl)methyl]-3,3-dimethylcyclohexyl]methanol
CID 10956370
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
6-[(4-methoxyphenyl)methyl]bicyclo[3.1.0]hexan-6-ol
CID 79331242
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol?
The IUPAC name of [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol (CID 154928225) is [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol is COc1ccc(CN(Cc2ccc(OC)cc2)[C@H]2CCC[C@@H]2CO)cc1.
What is the InChIKey of [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol?
The InChIKey is BCOGVNOFQWBWLV-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H29NO3/c1-25-20-10-6-17(7-11-20)14-23(22-5-3-4-19(22)16-24)15-18-8-12-21(26-2)13-9-18/h6-13,19,22,24H,3-5,14-16H2,1-2H3/t19-,22+/m1/s1.
What are the key properties of [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol?
[(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol has a molecular weight of 355.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[bis[(4-methoxyphenyl)methyl]amino]cyclopentyl]methanol is sourced from PubChem (CID 154928225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).