3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

C17H27NO — CID 65116779

IUPAC3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccccc1C(C)NCC1(O)CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13-7-6-10-17(19,11-13)12-18-15(3)16-9-5-4-8-14(16)2/h4-5,8-9,13,15,18-19H,6-7,10-12H2,1-3H3
InChIKeyUOGASJHRUUILSP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.59
Rot. Bonds4

About 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol

3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65116779) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65116779
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1ccccc1C(C)NCC1(O)CCCC(C)C1
InChIInChI=1S/C17H27NO/c1-13-7-6-10-17(19,11-13)12-18-15(3)16-9-5-4-8-14(16)2/h4-5,8-9,13,15,18-19H,6-7,10-12H2,1-3H3
InChIKeyUOGASJHRUUILSP-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
4-hydroxy-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499600
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
1-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65116917
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
CID 103390168
3-methyl-1-[[(3-methyl-2-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 107876213
3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003
3-methyl-1-[[(2-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933298
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol (CID 65116779) is 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is Cc1ccccc1C(C)NCC1(O)CCCC(C)C1.
What is the InChIKey of 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is UOGASJHRUUILSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-7-6-10-17(19,11-13)12-18-15(3)16-9-5-4-8-14(16)2/h4-5,8-9,13,15,18-19H,6-7,10-12H2,1-3H3.
What are the key properties of 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol?
3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).