4-[3-(prop-1-en-2-ylamino)propyl]phenol

C12H17NO — CID 170569538

IUPAC4-[3-(prop-1-en-2-ylamino)propyl]phenol
SMILESC=C(C)NCCCc1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-10(2)13-9-3-4-11-5-7-12(14)8-6-11/h5-8,13-14H,1,3-4,9H2,2H3
InChIKeyNSDHDPJLCKIFOY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.45
Rot. Bonds5

About 4-[3-(prop-1-en-2-ylamino)propyl]phenol

4-[3-(prop-1-en-2-ylamino)propyl]phenol (PubChem CID 170569538) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-[3-(prop-1-en-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[3-(prop-1-en-2-ylamino)propyl]phenol
PubChem CID170569538
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-[3-(prop-1-en-2-ylamino)propyl]phenol
SMILESC=C(C)NCCCc1ccc(O)cc1
InChIInChI=1S/C12H17NO/c1-10(2)13-9-3-4-11-5-7-12(14)8-6-11/h5-8,13-14H,1,3-4,9H2,2H3
InChIKeyNSDHDPJLCKIFOY-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.45
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
3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea
CID 86802436
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111428407
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-[3-(4-hydroxyphenyl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111792990
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-butylphenol;tungsten
CID 174758928

Frequently Asked Questions

What is the IUPAC name of 4-[3-(prop-1-en-2-ylamino)propyl]phenol?
The IUPAC name of 4-[3-(prop-1-en-2-ylamino)propyl]phenol (CID 170569538) is 4-[3-(prop-1-en-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[3-(prop-1-en-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[3-(prop-1-en-2-ylamino)propyl]phenol is C=C(C)NCCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-(prop-1-en-2-ylamino)propyl]phenol?
The InChIKey is NSDHDPJLCKIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)13-9-3-4-11-5-7-12(14)8-6-11/h5-8,13-14H,1,3-4,9H2,2H3.
What are the key properties of 4-[3-(prop-1-en-2-ylamino)propyl]phenol?
4-[3-(prop-1-en-2-ylamino)propyl]phenol has a molecular weight of 191.27 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 4-[3-(prop-1-en-2-ylamino)propyl]phenol is sourced from PubChem (CID 170569538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).