2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol

C17H23NO — CID 115685647

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C17H23NO/c1-17(12-19,16-5-3-2-4-6-16)18-11-15-10-13-7-8-14(15)9-13/h2-8,13-15,18-19H,9-12H2,1H3
InChIKeyLDSVOPJRWFZGLX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol (PubChem CID 115685647) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
PubChem CID115685647
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol
SMILESCC(CO)(NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C17H23NO/c1-17(12-19,16-5-3-2-4-6-16)18-11-15-10-13-7-8-14(15)9-13/h2-8,13-15,18-19H,9-12H2,1H3
InChIKeyLDSVOPJRWFZGLX-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.70
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

2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-1-ol
CID 43771189
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylbutan-2-amine
CID 98119287
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methylpentan-2-amine
CID 115685619
2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]bicyclo[2.2.1]hept-2-ene
CID 86080234
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
2-(3-methylbutylamino)-2-phenylpropan-1-ol
CID 115619641
2-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropan-1-ol
CID 105057805
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 43225668
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol (CID 115685647) is 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol is CC(CO)(NCC1CC2C=CC1C2)c1ccccc1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol?
The InChIKey is LDSVOPJRWFZGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(12-19,16-5-3-2-4-6-16)18-11-15-10-13-7-8-14(15)9-13/h2-8,13-15,18-19H,9-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol?
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 115685647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).