3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol

C17H27NO — CID 103271372

IUPAC3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
SMILESCCc1ccc(C(CC)NCC2CCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-5-8-15(9-6-13)17(4-2)18-12-14-7-10-16(19)11-14/h5-6,8-9,14,16-19H,3-4,7,10-12H2,1-2H3
InChIKeyRTHJYVIXHKGRNG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds6

About 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol

3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol (PubChem CID 103271372) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
PubChem CID103271372
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol
SMILESCCc1ccc(C(CC)NCC2CCC(O)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-5-8-15(9-6-13)17(4-2)18-12-14-7-10-16(19)11-14/h5-6,8-9,14,16-19H,3-4,7,10-12H2,1-2H3
InChIKeyRTHJYVIXHKGRNG-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-ethylphenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785864
3-[[1-(4-bromophenyl)propylamino]methyl]cyclohexan-1-ol
CID 103785944
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)propan-1-amine
CID 63477593
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
4-bromo-2-[1-[(3-hydroxycyclopentyl)methylamino]propyl]phenol
CID 103271351
3-[(pentan-3-ylamino)methyl]cyclopentan-1-ol
CID 103271506
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol (CID 103271372) is 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol is CCc1ccc(C(CC)NCC2CCC(O)C2)cc1.
What is the InChIKey of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol?
The InChIKey is RTHJYVIXHKGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-5-8-15(9-6-13)17(4-2)18-12-14-7-10-16(19)11-14/h5-6,8-9,14,16-19H,3-4,7,10-12H2,1-2H3.
What are the key properties of 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol?
3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-ethylphenyl)propylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 103271372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).