4-(3-aminophenyl)but-3-yn-1-ol

C10H11NO — CID 69436348

IUPAC4-(3-aminophenyl)but-3-yn-1-ol
SMILESNc1cccc(C#CCCO)c1
InChIInChI=1S/C10H11NO/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8,12H,2,7,11H2
InChIKeyVDELNSIDFKSGNA-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.00
Rot. Bonds1

About 4-(3-aminophenyl)but-3-yn-1-ol

4-(3-aminophenyl)but-3-yn-1-ol (PubChem CID 69436348) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-(3-aminophenyl)but-3-yn-1-ol.

Molecular Properties

Compound Name4-(3-aminophenyl)but-3-yn-1-ol
PubChem CID69436348
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name4-(3-aminophenyl)but-3-yn-1-ol
SMILESNc1cccc(C#CCCO)c1
InChIInChI=1S/C10H11NO/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8,12H,2,7,11H2
InChIKeyVDELNSIDFKSGNA-UHFFFAOYSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxyprop-1-ynyl)aniline
CID 71445987
1-(4-hydroxybut-1-ynyl)-3-[(sulfamoylamino)methyl]benzene
CID 114959491
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
4-[3-(3-fluoropropoxy)phenyl]but-3-yn-1-ol
CID 81114378
4-[3-[(3-bromophenyl)methoxymethyl]phenyl]but-3-yn-1-ol
CID 82806535
4-[3-(ethoxymethoxy)phenyl]but-3-yn-1-ol
CID 65369770
3-(4-phenylbuta-1,3-diynyl)aniline
CID 71417965
4-(3,5-dimethylphenyl)but-3-yn-1-ol
CID 60918613
4-[3-[[methyl(propan-2-yl)amino]methyl]phenyl]but-3-yn-1-ol
CID 54969690
4-(3-butan-2-yloxyphenyl)but-3-yn-1-ol
CID 60802171
(2S)-4-(3-aminophenyl)but-3-yn-2-ol
CID 129391691

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)but-3-yn-1-ol?
The IUPAC name of 4-(3-aminophenyl)but-3-yn-1-ol (CID 69436348) is 4-(3-aminophenyl)but-3-yn-1-ol.
What is the SMILES notation for 4-(3-aminophenyl)but-3-yn-1-ol?
The canonical SMILES for 4-(3-aminophenyl)but-3-yn-1-ol is Nc1cccc(C#CCCO)c1.
What is the InChIKey of 4-(3-aminophenyl)but-3-yn-1-ol?
The InChIKey is VDELNSIDFKSGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-10-6-3-5-9(8-10)4-1-2-7-12/h3,5-6,8,12H,2,7,11H2.
What are the key properties of 4-(3-aminophenyl)but-3-yn-1-ol?
4-(3-aminophenyl)but-3-yn-1-ol has a molecular weight of 161.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)but-3-yn-1-ol is sourced from PubChem (CID 69436348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).