(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine

C15H23NO — CID 93007263

IUPAC(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
SMILESCCN[C@@H](C)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-16-12(2)13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3/t12-/m0/s1
InChIKeySPYZPGHNRQEMQF-LBPRGKRZSA-N
MW233.35 g/mol
LogP3.68
Rot. Bonds5

About (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine

(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine (PubChem CID 93007263) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
PubChem CID93007263
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
SMILESCCN[C@@H](C)c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-3-16-12(2)13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3/t12-/m0/s1
InChIKeySPYZPGHNRQEMQF-LBPRGKRZSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558124
1-[4-(3,4-dimethylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 64745947
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530
(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
1-(4-cyclobutyloxyphenyl)-N-methylethanamine
CID 62139894
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
N-[cyclopropyl-(4-cyclopropyloxyphenyl)methyl]ethanamine
CID 114519282
1-(4-cyclopropyloxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 105051444
1-cyclopentyl-3-[4-[1-(ethylamino)ethyl]phenoxy]propan-2-ol
CID 103156424
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine?
The IUPAC name of (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine (CID 93007263) is (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine.
What is the SMILES notation for (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine?
The canonical SMILES for (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine is CCN[C@@H](C)c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine?
The InChIKey is SPYZPGHNRQEMQF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16-12(2)13-8-10-15(11-9-13)17-14-6-4-5-7-14/h8-12,14,16H,3-7H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine?
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 93007263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).