1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol

C16H25NO — CID 111466864

IUPAC1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
SMILESCCC1CCC(NCC(C)(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-3-13-9-10-15(11-13)17-12-16(2,18)14-7-5-4-6-8-14/h4-8,13,15,17-18H,3,9-12H2,1-2H3
InChIKeyLNXGGIHCQOGHQK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds5

About 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol

1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol (PubChem CID 111466864) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
PubChem CID111466864
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol
SMILESCCC1CCC(NCC(C)(O)c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-3-13-9-10-15(11-13)17-12-16(2,18)14-7-5-4-6-8-14/h4-8,13,15,17-18H,3,9-12H2,1-2H3
InChIKeyLNXGGIHCQOGHQK-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
CID 104589300
2-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-ol
CID 62374506
3-ethyl-N-(2-phenylethyl)cyclopentan-1-amine
CID 64500794
1-[(3-ethylcyclopentyl)amino]-2,4-dimethylpentan-2-ol
CID 66179546
1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907205
1-[(2-methylcyclopentyl)amino]-2-phenylpropan-2-ol
CID 63277919
2-phenyl-1-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]propan-2-ol
CID 110021905
1-(2-azaspiro[4.5]decan-8-ylamino)-2-phenylpropan-2-ol
CID 167861534
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
1-(2-cyclopropylpropan-2-ylamino)-2-phenylpropan-2-ol
CID 113428863

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol (CID 111466864) is 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol is CCC1CCC(NCC(C)(O)c2ccccc2)C1.
What is the InChIKey of 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol?
The InChIKey is LNXGGIHCQOGHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-9-10-15(11-13)17-12-16(2,18)14-7-5-4-6-8-14/h4-8,13,15,17-18H,3,9-12H2,1-2H3.
What are the key properties of 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol?
1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclopentyl)amino]-2-phenylpropan-2-ol is sourced from PubChem (CID 111466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).