(1S)-2-(hexylamino)-1-phenylethanol

C14H23NO — CID 102581936

IUPAC(1S)-2-(hexylamino)-1-phenylethanol
SMILESCCCCCCNC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14-16H,2-4,8,11-12H2,1H3/t14-/m1/s1
InChIKeyJLSYXSVZYCGXKG-CQSZACIVSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds8

About (1S)-2-(hexylamino)-1-phenylethanol

(1S)-2-(hexylamino)-1-phenylethanol (PubChem CID 102581936) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (1S)-2-(hexylamino)-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-(hexylamino)-1-phenylethanol
PubChem CID102581936
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(1S)-2-(hexylamino)-1-phenylethanol
SMILESCCCCCCNC[C@@H](O)c1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14-16H,2-4,8,11-12H2,1H3/t14-/m1/s1
InChIKeyJLSYXSVZYCGXKG-CQSZACIVSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-[4-(2-methylpropyl)phenyl]-2-(pentylamino)ethanol
CID 60896684
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
cumene;N-octadecyloctadecan-1-amine
CID 67656725
2-(pentylamino)-1-(4-propoxyphenyl)ethanol
CID 82314080
[4-[1-hydroxy-2-(octylamino)ethyl]phenyl] acetate
CID 138558245
(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(hexylamino)-1-phenylethanol?
The IUPAC name of (1S)-2-(hexylamino)-1-phenylethanol (CID 102581936) is (1S)-2-(hexylamino)-1-phenylethanol.
What is the SMILES notation for (1S)-2-(hexylamino)-1-phenylethanol?
The canonical SMILES for (1S)-2-(hexylamino)-1-phenylethanol is CCCCCCNC[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-(hexylamino)-1-phenylethanol?
The InChIKey is JLSYXSVZYCGXKG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-8-11-15-12-14(16)13-9-6-5-7-10-13/h5-7,9-10,14-16H,2-4,8,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (1S)-2-(hexylamino)-1-phenylethanol?
(1S)-2-(hexylamino)-1-phenylethanol has a molecular weight of 221.34 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(hexylamino)-1-phenylethanol is sourced from PubChem (CID 102581936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).