4-[3-(2-methylbutylamino)propyl]phenol

C14H23NO — CID 115887589

IUPAC4-[3-(2-methylbutylamino)propyl]phenol
SMILESCCC(C)CNCCCc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-3-12(2)11-15-10-4-5-13-6-8-14(16)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyNHRCGCUYQKZABY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.96
Rot. Bonds7

About 4-[3-(2-methylbutylamino)propyl]phenol

4-[3-(2-methylbutylamino)propyl]phenol (PubChem CID 115887589) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[3-(2-methylbutylamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylbutylamino)propyl]phenol
PubChem CID115887589
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[3-(2-methylbutylamino)propyl]phenol
SMILESCCC(C)CNCCCc1ccc(O)cc1
InChIInChI=1S/C14H23NO/c1-3-12(2)11-15-10-4-5-13-6-8-14(16)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyNHRCGCUYQKZABY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
4-(3-methylpentyl)phenol
CID 57225129
4-[2-(pentylamino)ethyl]phenol
CID 61236551
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
2-methyl-N-[2-(4-nitrophenyl)ethyl]butan-1-amine
CID 61219672
1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111792990
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
4-[2-(3-methylpentan-2-ylamino)ethyl]phenol
CID 61236728
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylbutylamino)propyl]phenol?
The IUPAC name of 4-[3-(2-methylbutylamino)propyl]phenol (CID 115887589) is 4-[3-(2-methylbutylamino)propyl]phenol.
What is the SMILES notation for 4-[3-(2-methylbutylamino)propyl]phenol?
The canonical SMILES for 4-[3-(2-methylbutylamino)propyl]phenol is CCC(C)CNCCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(2-methylbutylamino)propyl]phenol?
The InChIKey is NHRCGCUYQKZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-12(2)11-15-10-4-5-13-6-8-14(16)9-7-13/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[3-(2-methylbutylamino)propyl]phenol?
4-[3-(2-methylbutylamino)propyl]phenol has a molecular weight of 221.34 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylbutylamino)propyl]phenol is sourced from PubChem (CID 115887589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).