1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine

C18H25NO — CID 63682074

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCC2CC3CCC2C3)cc1
InChIInChI=1S/C18H25NO/c1-2-9-20-18-7-4-14(5-8-18)12-19-13-17-11-15-3-6-16(17)10-15/h2,4-5,7-8,15-17,19H,1,3,6,9-13H2
InChIKeyNUOALSBEHRYBGC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.78
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine (PubChem CID 63682074) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
PubChem CID63682074
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
SMILESC=CCOc1ccc(CNCC2CC3CCC2C3)cc1
InChIInChI=1S/C18H25NO/c1-2-9-20-18-7-4-14(5-8-18)12-19-13-17-11-15-3-6-16(17)10-15/h2,4-5,7-8,15-17,19H,1,3,6,9-13H2
InChIKeyNUOALSBEHRYBGC-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-prop-2-enoxyphenyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295418
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 62734103
5-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxyphenol
CID 62734294
4-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-2-methoxybenzonitrile
CID 106787494
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine
CID 107386623
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 125044895
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
1-cyclopentyl-2-[(4-prop-2-enoxyphenyl)methylamino]ethanol
CID 111425486
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
1-(2-bicyclo[2.2.1]heptanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63688120
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275478

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine (CID 63682074) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine is C=CCOc1ccc(CNCC2CC3CCC2C3)cc1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
The InChIKey is NUOALSBEHRYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-9-20-18-7-4-14(5-8-18)12-19-13-17-11-15-3-6-16(17)10-15/h2,4-5,7-8,15-17,19H,1,3,6,9-13H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine has a molecular weight of 271.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[(4-prop-2-enoxyphenyl)methyl]methanamine is sourced from PubChem (CID 63682074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).