N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine

C18H25N — CID 43225668

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C18H25N/c1-13(2)18(15-6-4-3-5-7-15)19-12-17-11-14-8-9-16(17)10-14/h3-9,13-14,16-19H,10-12H2,1-2H3
InChIKeyQTBKIDXIQUZLAN-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.19
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 43225668) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID43225668
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CC2C=CC1C2)c1ccccc1
InChIInChI=1S/C18H25N/c1-13(2)18(15-6-4-3-5-7-15)19-12-17-11-14-8-9-16(17)10-14/h3-9,13-14,16-19H,10-12H2,1-2H3
InChIKeyQTBKIDXIQUZLAN-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
CID 103766373
(1S)-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(4,5-dimethyl-1,2,4-triazol-3-yl)-1-phenylmethanamine
CID 98220438
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylpentan-2-amine
CID 43775722
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
CID 98118059
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
1-(1,3-benzodioxol-5-yl)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)ethanamine
CID 43782351
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine (CID 43225668) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCC1CC2C=CC1C2)c1ccccc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is QTBKIDXIQUZLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-13(2)18(15-6-4-3-5-7-15)19-12-17-11-14-8-9-16(17)10-14/h3-9,13-14,16-19H,10-12H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43225668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).