1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol

C19H31NO — CID 65122891

IUPAC1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCc1cc(C)c(C(C)NCC2(O)CCCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-14-11-16(3)18(12-15(14)2)17(4)20-13-19(21)9-7-5-6-8-10-19/h11-12,17,20-21H,5-10,13H2,1-4H3
InChIKeyMDBALLGOXWADKX-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds4

About 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol

1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol (PubChem CID 65122891) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
PubChem CID65122891
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
SMILESCc1cc(C)c(C(C)NCC2(O)CCCCCC2)cc1C
InChIInChI=1S/C19H31NO/c1-14-11-16(3)18(12-15(14)2)17(4)20-13-19(21)9-7-5-6-8-10-19/h11-12,17,20-21H,5-10,13H2,1-4H3
InChIKeyMDBALLGOXWADKX-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
1-[[1-(4-fluoro-2-hydroxyphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123420
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
1-[[1-(2,5-difluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105414
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
1-[[1-(2-chloro-4-fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65123525
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol (CID 65122891) is 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol is Cc1cc(C)c(C(C)NCC2(O)CCCCCC2)cc1C.
What is the InChIKey of 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
The InChIKey is MDBALLGOXWADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-11-16(3)18(12-15(14)2)17(4)20-13-19(21)9-7-5-6-8-10-19/h11-12,17,20-21H,5-10,13H2,1-4H3.
What are the key properties of 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol?
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65122891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).