[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol

C17H27NO — CID 116912682

IUPAC[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCc1cc(C)c(C(N(C)C)C2(CO)CCC2)cc1C
InChIInChI=1S/C17H27NO/c1-12-9-14(3)15(10-13(12)2)16(18(4)5)17(11-19)7-6-8-17/h9-10,16,19H,6-8,11H2,1-5H3
InChIKeyCIMJKYUSSOHHCU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.38
Rot. Bonds4

About [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol

[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol (PubChem CID 116912682) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol
PubChem CID116912682
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol
SMILESCc1cc(C)c(C(N(C)C)C2(CO)CCC2)cc1C
InChIInChI=1S/C17H27NO/c1-12-9-14(3)15(10-13(12)2)16(18(4)5)17(11-19)7-6-8-17/h9-10,16,19H,6-8,11H2,1-5H3
InChIKeyCIMJKYUSSOHHCU-UHFFFAOYSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
[1-[(5-bromo-2-fluorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912688
1-[3-(aminomethyl)oxetan-3-yl]-N,N-dimethyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116913049
[1-[(4-chlorophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912658
[1-[(3-bromophenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912694
[1-[(2,5-dimethoxyphenyl)-(dimethylamino)methyl]cyclopropyl]methanol
CID 116912133
3-[dimethylamino-(2,4,5-trimethylphenyl)methyl]oxetane-3-carbonitrile
CID 116912834
[3-[dimethylamino-(2-methoxy-5-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116912962
[1-[1-(dimethylamino)propyl]cyclobutyl]methanol
CID 116912644
2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116913443
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
1-(2,4,5-trimethylphenyl)butane-1,4-diol
CID 82470579

Frequently Asked Questions

What is the IUPAC name of [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol (CID 116912682) is [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol is Cc1cc(C)c(C(N(C)C)C2(CO)CCC2)cc1C.
What is the InChIKey of [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol?
The InChIKey is CIMJKYUSSOHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-14(3)15(10-13(12)2)16(18(4)5)17(11-19)7-6-8-17/h9-10,16,19H,6-8,11H2,1-5H3.
What are the key properties of [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol?
[1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol has a molecular weight of 261.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[dimethylamino-(2,4,5-trimethylphenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116912682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).