2-amino-5-(4-ethylphenyl)hexan-3-ol

C14H23NO — CID 83922656

IUPAC2-amino-5-(4-ethylphenyl)hexan-3-ol
SMILESCCc1ccc(C(C)CC(O)C(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3
InChIKeyLECCXPUCKDAJAP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-5-(4-ethylphenyl)hexan-3-ol

2-amino-5-(4-ethylphenyl)hexan-3-ol (PubChem CID 83922656) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-amino-5-(4-ethylphenyl)hexan-3-ol.

Molecular Properties

Compound Name2-amino-5-(4-ethylphenyl)hexan-3-ol
PubChem CID83922656
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-amino-5-(4-ethylphenyl)hexan-3-ol
SMILESCCc1ccc(C(C)CC(O)C(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3
InChIKeyLECCXPUCKDAJAP-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
2-amino-5-(4-phenoxyphenyl)hexan-3-ol
CID 83939023
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
3-(4-ethylphenyl)butan-2-amine
CID 66439374
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
6-(4-ethylphenyl)heptan-3-amine
CID 83922585

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethylphenyl)hexan-3-ol?
The IUPAC name of 2-amino-5-(4-ethylphenyl)hexan-3-ol (CID 83922656) is 2-amino-5-(4-ethylphenyl)hexan-3-ol.
What is the SMILES notation for 2-amino-5-(4-ethylphenyl)hexan-3-ol?
The canonical SMILES for 2-amino-5-(4-ethylphenyl)hexan-3-ol is CCc1ccc(C(C)CC(O)C(C)N)cc1.
What is the InChIKey of 2-amino-5-(4-ethylphenyl)hexan-3-ol?
The InChIKey is LECCXPUCKDAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-5-7-13(8-6-12)10(2)9-14(16)11(3)15/h5-8,10-11,14,16H,4,9,15H2,1-3H3.
What are the key properties of 2-amino-5-(4-ethylphenyl)hexan-3-ol?
2-amino-5-(4-ethylphenyl)hexan-3-ol has a molecular weight of 221.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-ethylphenyl)hexan-3-ol is sourced from PubChem (CID 83922656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).