6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol

C15H25NO — CID 107703523

IUPAC6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
SMILESCc1ccccc1[C@H](C)NCCCCCCO
InChIInChI=1S/C15H25NO/c1-13-9-5-6-10-15(13)14(2)16-11-7-3-4-8-12-17/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQKNGKDMPQNKXNJ-AWEZNQCLSA-N
MW235.37 g/mol
LogP3.20
Rot. Bonds8

About 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol

6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol (PubChem CID 107703523) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
PubChem CID107703523
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
SMILESCc1ccccc1[C@H](C)NCCCCCCO
InChIInChI=1S/C15H25NO/c1-13-9-5-6-10-15(13)14(2)16-11-7-3-4-8-12-17/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQKNGKDMPQNKXNJ-AWEZNQCLSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117
4-[[(1S)-1-(2-methylphenyl)ethyl]amino]butanenitrile
CID 81374879
(2R)-4-[[(1R)-1-(2-methylphenyl)ethyl]amino]butan-2-ol
CID 96784262
4-[1-(2,4,5-trimethylphenyl)ethylamino]butan-1-ol
CID 106840594
N-[(1S)-1-(2-methylphenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 81375092
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol?
The IUPAC name of 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol (CID 107703523) is 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol is Cc1ccccc1[C@H](C)NCCCCCCO.
What is the InChIKey of 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol?
The InChIKey is QKNGKDMPQNKXNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO/c1-13-9-5-6-10-15(13)14(2)16-11-7-3-4-8-12-17/h5-6,9-10,14,16-17H,3-4,7-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol?
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol is sourced from PubChem (CID 107703523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).