[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol

C20H33NO2 — CID 71018256

IUPAC[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
SMILESCCCCCCCOc1ccc(C[C@H]2CCC[C@@]2(N)CO)cc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-14-23-19-11-9-17(10-12-19)15-18-8-7-13-20(18,21)16-22/h9-12,18,22H,2-8,13-16,21H2,1H3/t18-,20-/m1/s1
InChIKeyKBNYREUBNRVSSW-UYAOXDASSA-N
MW319.49 g/mol
LogP4.07
Rot. Bonds10

About [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol

[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol (PubChem CID 71018256) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
PubChem CID71018256
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol
SMILESCCCCCCCOc1ccc(C[C@H]2CCC[C@@]2(N)CO)cc1
InChIInChI=1S/C20H33NO2/c1-2-3-4-5-6-14-23-19-11-9-17(10-12-19)15-18-8-7-13-20(18,21)16-22/h9-12,18,22H,2-8,13-16,21H2,1H3/t18-,20-/m1/s1
InChIKeyKBNYREUBNRVSSW-UYAOXDASSA-N
XLogP4.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methyloxidanium
CID 163701678
cis-(1R,2S)-1-ethyl-2-[(4-octylphenyl)methyl]cyclopentan-1-amine
CID 59504295
2-[(4-hexoxyphenyl)methyl]cyclohexan-1-ol
CID 82185858
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
CID 68940187
N-[(2,2-dimethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 22992855
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
(4-decoxyphenyl)methanamine
CID 55187501
2-[(4-pentoxyphenyl)methyl]oxirane
CID 173250908
2-[(4-pentoxyphenyl)methyl]cyclohexan-1-one
CID 82185917
1-amino-2-[2-[4-(hydroxymethyl)phenoxy]ethyl]cyclopentane-1-carboxylic acid
CID 79570899
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol (CID 71018256) is [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol is CCCCCCCOc1ccc(C[C@H]2CCC[C@@]2(N)CO)cc1.
What is the InChIKey of [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol?
The InChIKey is KBNYREUBNRVSSW-UYAOXDASSA-N. The full InChI is InChI=1S/C20H33NO2/c1-2-3-4-5-6-14-23-19-11-9-17(10-12-19)15-18-8-7-13-20(18,21)16-22/h9-12,18,22H,2-8,13-16,21H2,1H3/t18-,20-/m1/s1.
What are the key properties of [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol?
[(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol has a molecular weight of 319.49 g/mol, XLogP of 4.07, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-amino-2-[(4-heptoxyphenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 71018256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).