3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol

C17H27NO — CID 103271482

IUPAC3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)c1ccc(C(C)NCC2CCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)15-5-7-16(8-6-15)13(3)18-11-14-4-9-17(19)10-14/h5-8,12-14,17-19H,4,9-11H2,1-3H3
InChIKeyQSLSLIJDTQQCDX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds5

About 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol

3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 103271482) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
PubChem CID103271482
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)c1ccc(C(C)NCC2CCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-12(2)15-5-7-16(8-6-15)13(3)18-11-14-4-9-17(19)10-14/h5-8,12-14,17-19H,4,9-11H2,1-3H3
InChIKeyQSLSLIJDTQQCDX-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-nitrophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271362
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
3-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 107094347
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271297
3-[[1-(3,4-dimethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785848
3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271388
3-[[1-(4-propoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 103785946
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
CID 103271372

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol (CID 103271482) is 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol is CC(C)c1ccc(C(C)NCC2CCC(O)C2)cc1.
What is the InChIKey of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is QSLSLIJDTQQCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-5-7-16(8-6-15)13(3)18-11-14-4-9-17(19)10-14/h5-8,12-14,17-19H,4,9-11H2,1-3H3.
What are the key properties of 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol?
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).