[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol

C18H29NO — CID 115358873

IUPAC[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCc1cc(C)c(C(C)NCC2(CO)CCCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-9-14(2)17(15(3)10-13)16(4)19-11-18(12-20)7-5-6-8-18/h9-10,16,19-20H,5-8,11-12H2,1-4H3
InChIKeyNUNUNCNVNDKMEZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.82
Rot. Bonds5

About [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol

[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol (PubChem CID 115358873) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
PubChem CID115358873
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
SMILESCc1cc(C)c(C(C)NCC2(CO)CCCC2)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-9-14(2)17(15(3)10-13)16(4)19-11-18(12-20)7-5-6-8-18/h9-10,16,19-20H,5-8,11-12H2,1-4H3
InChIKeyNUNUNCNVNDKMEZ-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[1-(3,5-dimethylphenyl)ethylamino]methyl]cyclohexyl]methanol
CID 103965989
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 103903840
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412663
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
5-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136965510
[1-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]cyclohexyl]methanol
CID 81419096
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
5-fluoro-2-[1-[[1-(hydroxymethyl)cyclopentyl]methylamino]ethyl]phenol
CID 115358531
[1-[[1-(3-nitrophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358498
[1-[[1-(3-chloro-4-fluorophenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358450
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106281531
[1-[[1-(2-fluorophenyl)ethylamino]methyl]cyclohexyl]methanol
CID 81419006

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol (CID 115358873) is [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol is Cc1cc(C)c(C(C)NCC2(CO)CCCC2)c(C)c1.
What is the InChIKey of [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol?
The InChIKey is NUNUNCNVNDKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-9-14(2)17(15(3)10-13)16(4)19-11-18(12-20)7-5-6-8-18/h9-10,16,19-20H,5-8,11-12H2,1-4H3.
What are the key properties of [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol?
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol has a molecular weight of 275.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).