[3-(hex-5-en-2-ylamino)phenyl]methanol

C13H19NO — CID 104655504

IUPAC[3-(hex-5-en-2-ylamino)phenyl]methanol
SMILESC=CCCC(C)Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO/c1-3-4-6-11(2)14-13-8-5-7-12(9-13)10-15/h3,5,7-9,11,14-15H,1,4,6,10H2,2H3
InChIKeyHGLYFUFGRIGCCF-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.95
Rot. Bonds6

About [3-(hex-5-en-2-ylamino)phenyl]methanol

[3-(hex-5-en-2-ylamino)phenyl]methanol (PubChem CID 104655504) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [3-(hex-5-en-2-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[3-(hex-5-en-2-ylamino)phenyl]methanol
PubChem CID104655504
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[3-(hex-5-en-2-ylamino)phenyl]methanol
SMILESC=CCCC(C)Nc1cccc(CO)c1
InChIInChI=1S/C13H19NO/c1-3-4-6-11(2)14-13-8-5-7-12(9-13)10-15/h3,5,7-9,11,14-15H,1,4,6,10H2,2H3
InChIKeyHGLYFUFGRIGCCF-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
[3-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43715225
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
3-ethyl-N-pentan-2-ylaniline
CID 43102191
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827

Frequently Asked Questions

What is the IUPAC name of [3-(hex-5-en-2-ylamino)phenyl]methanol?
The IUPAC name of [3-(hex-5-en-2-ylamino)phenyl]methanol (CID 104655504) is [3-(hex-5-en-2-ylamino)phenyl]methanol.
What is the SMILES notation for [3-(hex-5-en-2-ylamino)phenyl]methanol?
The canonical SMILES for [3-(hex-5-en-2-ylamino)phenyl]methanol is C=CCCC(C)Nc1cccc(CO)c1.
What is the InChIKey of [3-(hex-5-en-2-ylamino)phenyl]methanol?
The InChIKey is HGLYFUFGRIGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-6-11(2)14-13-8-5-7-12(9-13)10-15/h3,5,7-9,11,14-15H,1,4,6,10H2,2H3.
What are the key properties of [3-(hex-5-en-2-ylamino)phenyl]methanol?
[3-(hex-5-en-2-ylamino)phenyl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hex-5-en-2-ylamino)phenyl]methanol is sourced from PubChem (CID 104655504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).