[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol

C19H31NO2 — CID 68940187

IUPAC[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
SMILESCCCCCCCOc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-13-22-18-9-7-16(8-10-18)17-11-12-19(20,14-17)15-21/h7-10,17,21H,2-6,11-15,20H2,1H3/t17-,19+/m1/s1
InChIKeyYNPVHXZATAYGFT-MJGOQNOKSA-N
MW305.46 g/mol
LogP3.99
Rot. Bonds9

About [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol

[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol (PubChem CID 68940187) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
PubChem CID68940187
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol
SMILESCCCCCCCOc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1
InChIInChI=1S/C19H31NO2/c1-2-3-4-5-6-13-22-18-9-7-16(8-10-18)17-11-12-19(20,14-17)15-21/h7-10,17,21H,2-6,11-15,20H2,1H3/t17-,19+/m1/s1
InChIKeyYNPVHXZATAYGFT-MJGOQNOKSA-N
XLogP3.99
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.99
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

lithium;[(1R,3R)-1-amino-3-(4-octoxyphenyl)cyclopentyl]methanol;(5R,8R)-8-(4-octoxyphenyl)-3-oxa-1-azaspiro[4.4]nonan-2-one;hydroxide;hydrochloride
CID 158293340
[(3S)-1-amino-3-(4-octylphenyl)cyclopentyl]methanol
CID 25009740
[(1R,3R)-1-amino-3-[4-(2-phenylethoxy)phenyl]cyclopentyl]methanol
CID 141211633
3,11-bis(4-nonoxyphenyl)dispiro[5.1.58.16]tetradecane
CID 159804370
[(1S,3R)-1-amino-3-[4-(3-thiophen-2-ylpropoxy)phenyl]cyclopentyl]methanol
CID 68934675
[(1S,3S)-1-amino-3-(6-pentoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 118877560
[(1S,3R)-1-amino-3-(4-hex-1-ynylphenyl)cyclopentyl]methanol
CID 68941625
[1-amino-3-(4-octylphenyl)cyclohexyl]methanol
CID 68937152
1-(4-fluoro-4-octylcyclohexyl)-4-octoxybenzene
CID 67859754
1-cyclohexyl-4-heptoxybenzene
CID 56628106
[(1R,3S)-1-amino-3-(2-hexoxy-4,5-dihydrobenzo[g][1,3]benzothiazol-7-yl)cyclopentyl]methanol
CID 134319607
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol (CID 68940187) is [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol is CCCCCCCOc1ccc([C@@H]2CC[C@@](N)(CO)C2)cc1.
What is the InChIKey of [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol?
The InChIKey is YNPVHXZATAYGFT-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H31NO2/c1-2-3-4-5-6-13-22-18-9-7-16(8-10-18)17-11-12-19(20,14-17)15-21/h7-10,17,21H,2-6,11-15,20H2,1H3/t17-,19+/m1/s1.
What are the key properties of [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol?
[(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol has a molecular weight of 305.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-amino-3-(4-heptoxyphenyl)cyclopentyl]methanol is sourced from PubChem (CID 68940187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).