(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol

C14H23NO — CID 99992372

IUPAC(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol
SMILESCCNCC[C@@H](CCO)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-3-15-10-8-14(9-11-16)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-/m0/s1
InChIKeyJJPLGLMAYAFFQS-AWEZNQCLSA-N
MW221.34 g/mol
LogP2.46
Rot. Bonds7

About (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol

(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol (PubChem CID 99992372) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol
PubChem CID99992372
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol
SMILESCCNCC[C@@H](CCO)c1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-3-15-10-8-14(9-11-16)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-/m0/s1
InChIKeyJJPLGLMAYAFFQS-AWEZNQCLSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.46
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

(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
1-ethyl-3-(5-hydroxy-3-phenylpentyl)urea
CID 121112411
(1R)-2-(ethylamino)-1-(4-methylphenyl)ethanol
CID 39237107
1-methyl-4-undecan-6-ylbenzene
CID 54207407
N-(5-hydroxy-3-phenylpentyl)ethanesulfonamide
CID 121112259
2-[[(1R)-1-(4-methylphenyl)propyl]amino]ethanol
CID 29083030
3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 82088502
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol?
The IUPAC name of (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol (CID 99992372) is (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol.
What is the SMILES notation for (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol?
The canonical SMILES for (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol is CCNCC[C@@H](CCO)c1ccc(C)cc1.
What is the InChIKey of (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol?
The InChIKey is JJPLGLMAYAFFQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-15-10-8-14(9-11-16)13-6-4-12(2)5-7-13/h4-7,14-16H,3,8-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol?
(3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(ethylamino)-3-(4-methylphenyl)pentan-1-ol is sourced from PubChem (CID 99992372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).