2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol

C17H27NO — CID 64928037

IUPAC2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCc1ccc(C(C)NCC2CCCCC2O)cc1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19/h8-11,13,16-19H,3-7,12H2,1-2H3
InChIKeyNQOIUAUBWAEVQG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds5

About 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64928037) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64928037
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCCc1ccc(C(C)NCC2CCCCC2O)cc1
InChIInChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19/h8-11,13,16-19H,3-7,12H2,1-2H3
InChIKeyNQOIUAUBWAEVQG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-ol
CID 64927505
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63455907
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
1-[4-[(1S)-1-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 124744134
2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 113437563
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea;hydrochloride
CID 170913337
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 64928037) is 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol is CCc1ccc(C(C)NCC2CCCCC2O)cc1.
What is the InChIKey of 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is NQOIUAUBWAEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-8-10-15(11-9-14)13(2)18-12-16-6-4-5-7-17(16)19/h8-11,13,16-19H,3-7,12H2,1-2H3.
What are the key properties of 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64928037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).