2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine

C19H23NO — CID 45253768

IUPAC2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
SMILESNC(CC1CCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c20-19(14-15-6-4-5-7-15)16-10-12-18(13-11-16)21-17-8-2-1-3-9-17/h1-3,8-13,15,19H,4-7,14,20H2
InChIKeyQKFUCIVFQJXZAA-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.06
Rot. Bonds5

About 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine

2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine (PubChem CID 45253768) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
PubChem CID45253768
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
SMILESNC(CC1CCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c20-19(14-15-6-4-5-7-15)16-10-12-18(13-11-16)21-17-8-2-1-3-9-17/h1-3,8-13,15,19H,4-7,14,20H2
InChIKeyQKFUCIVFQJXZAA-UHFFFAOYSA-N
XLogP5.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-phenylethanamine
CID 21261900
(1R)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine
CID 171200529
2-cyclobutyl-1-phenylethanamine;hydrochloride
CID 131675142
(1S)-2-cyclopropyl-1-(3-phenoxyphenyl)ethanamine;hydrochloride
CID 171220070
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
CID 105051379
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
(1R,2S)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171269374
(1S,2R)-2-amino-1-cyclopentyl-2-(4-phenoxyphenyl)ethanol;hydrochloride
CID 171263701
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
(1R)-2-cyclopropyl-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 171208431

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine (CID 45253768) is 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine is NC(CC1CCCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine?
The InChIKey is QKFUCIVFQJXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c20-19(14-15-6-4-5-7-15)16-10-12-18(13-11-16)21-17-8-2-1-3-9-17/h1-3,8-13,15,19H,4-7,14,20H2.
What are the key properties of 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine?
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine is sourced from PubChem (CID 45253768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).