(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol

C14H23NO — CID 63370824

IUPAC(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO/c1-4-5-8-11-15(3)14-10-7-6-9-13(14)12(2)16/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3/t12-/m0/s1
InChIKeySFYLHPOJANJKAN-LBPRGKRZSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds6

About (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol

(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol (PubChem CID 63370824) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
PubChem CID63370824
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
SMILESCCCCCN(C)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO/c1-4-5-8-11-15(3)14-10-7-6-9-13(14)12(2)16/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3/t12-/m0/s1
InChIKeySFYLHPOJANJKAN-LBPRGKRZSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
1-[3-fluoro-2-[methyl(pentyl)amino]phenyl]ethanol
CID 114059089
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
2-N-butyl-1-N,2-N-dimethyl-1-N-propylbenzene-1,2-diamine
CID 142020233
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol (CID 63370824) is (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol is CCCCCN(C)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol?
The InChIKey is SFYLHPOJANJKAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-8-11-15(3)14-10-7-6-9-13(14)12(2)16/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol?
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol has a molecular weight of 221.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol is sourced from PubChem (CID 63370824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).