[3-(4-aminobutyl)-5-ethylphenyl]methanol

C13H21NO — CID 70653560

IUPAC[3-(4-aminobutyl)-5-ethylphenyl]methanol
SMILESCCc1cc(CO)cc(CCCCN)c1
InChIInChI=1S/C13H21NO/c1-2-11-7-12(5-3-4-6-14)9-13(8-11)10-15/h7-9,15H,2-6,10,14H2,1H3
InChIKeySXSQDJAXVQJYLU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds6

About [3-(4-aminobutyl)-5-ethylphenyl]methanol

[3-(4-aminobutyl)-5-ethylphenyl]methanol (PubChem CID 70653560) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [3-(4-aminobutyl)-5-ethylphenyl]methanol.

Molecular Properties

Compound Name[3-(4-aminobutyl)-5-ethylphenyl]methanol
PubChem CID70653560
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[3-(4-aminobutyl)-5-ethylphenyl]methanol
SMILESCCc1cc(CO)cc(CCCCN)c1
InChIInChI=1S/C13H21NO/c1-2-11-7-12(5-3-4-6-14)9-13(8-11)10-15/h7-9,15H,2-6,10,14H2,1H3
InChIKeySXSQDJAXVQJYLU-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
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-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
(3,5-dipropylphenyl)methanol
CID 23592581
(3-ethyl-5-iodophenyl)methanol
CID 118268844
3-ethyl-5-pentylphenol
CID 130224031
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
4-(3,4-diethylphenyl)butan-1-amine
CID 115483378
N'-[4-[[3-[[4-(4-aminobutylamino)butylamino]methyl]-5-ethylphenyl]methylamino]butyl]butane-1,4-diamine
CID 118579761
4-(4-aminobutyl)-2,6-ditert-butylphenol
CID 10516679
ethyl 3-(3-bromopropyl)-5-(hydroxymethyl)benzoate
CID 134641156

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminobutyl)-5-ethylphenyl]methanol?
The IUPAC name of [3-(4-aminobutyl)-5-ethylphenyl]methanol (CID 70653560) is [3-(4-aminobutyl)-5-ethylphenyl]methanol.
What is the SMILES notation for [3-(4-aminobutyl)-5-ethylphenyl]methanol?
The canonical SMILES for [3-(4-aminobutyl)-5-ethylphenyl]methanol is CCc1cc(CO)cc(CCCCN)c1.
What is the InChIKey of [3-(4-aminobutyl)-5-ethylphenyl]methanol?
The InChIKey is SXSQDJAXVQJYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11-7-12(5-3-4-6-14)9-13(8-11)10-15/h7-9,15H,2-6,10,14H2,1H3.
What are the key properties of [3-(4-aminobutyl)-5-ethylphenyl]methanol?
[3-(4-aminobutyl)-5-ethylphenyl]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminobutyl)-5-ethylphenyl]methanol is sourced from PubChem (CID 70653560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).