(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol

C15H23NO — CID 107399653

IUPAC(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CCC1)c1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO/c1-3-16(11-13-7-6-8-13)15-10-5-4-9-14(15)12(2)17/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3/t12-/m0/s1
InChIKeyNRNDQBWQHPIENE-LBPRGKRZSA-N
MW233.36 g/mol
LogP3.37
Rot. Bonds5

About (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol

(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol (PubChem CID 107399653) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
PubChem CID107399653
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
SMILESCCN(CC1CCC1)c1ccccc1[C@H](C)O
InChIInChI=1S/C15H23NO/c1-3-16(11-13-7-6-8-13)15-10-5-4-9-14(15)12(2)17/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3/t12-/m0/s1
InChIKeyNRNDQBWQHPIENE-LBPRGKRZSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1R)-1-[2-[cyclobutylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 107399695
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
2-(bromomethyl)-N-(cyclobutylmethyl)-N-ethylaniline
CID 107399750
(1R)-1-[2-bromo-4-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 114069882
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78954480
(1S)-1-[2-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370690
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol (CID 107399653) is (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol is CCN(CC1CCC1)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol?
The InChIKey is NRNDQBWQHPIENE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-16(11-13-7-6-8-13)15-10-5-4-9-14(15)12(2)17/h4-5,9-10,12-13,17H,3,6-8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol?
(1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol is sourced from PubChem (CID 107399653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).