[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol

C17H27NO2 — CID 115927986

IUPAC[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
SMILESCC(C)COc1ccc(C(C)NC2(CO)CCC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-20-16-7-5-15(6-8-16)14(3)18-17(12-19)9-4-10-17/h5-8,13-14,18-19H,4,9-12H2,1-3H3
InChIKeyAMARUKLRVPMLIS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.29
Rot. Bonds7

About [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol

[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol (PubChem CID 115927986) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
PubChem CID115927986
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol
SMILESCC(C)COc1ccc(C(C)NC2(CO)CCC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-20-16-7-5-15(6-8-16)14(3)18-17(12-19)9-4-10-17/h5-8,13-14,18-19H,4,9-12H2,1-3H3
InChIKeyAMARUKLRVPMLIS-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119815204
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]cyclobutyl]methanamine
CID 62594810
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
[1-[1-(4-bromo-3-methylphenyl)ethylamino]cyclopropyl]methanol
CID 115976164

Frequently Asked Questions

What is the IUPAC name of [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol?
The IUPAC name of [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol (CID 115927986) is [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol is CC(C)COc1ccc(C(C)NC2(CO)CCC2)cc1.
What is the InChIKey of [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol?
The InChIKey is AMARUKLRVPMLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)11-20-16-7-5-15(6-8-16)14(3)18-17(12-19)9-4-10-17/h5-8,13-14,18-19H,4,9-12H2,1-3H3.
What are the key properties of [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol?
[1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[4-(2-methylpropoxy)phenyl]ethylamino]cyclobutyl]methanol is sourced from PubChem (CID 115927986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).