1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine

C18H25N — CID 81364480

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc([C@@H](C)NC(C)C2CC3C=CC2C3)c1
InChIInChI=1S/C18H25N/c1-12-5-4-6-16(9-12)13(2)19-14(3)18-11-15-7-8-17(18)10-15/h4-9,13-15,17-19H,10-11H2,1-3H3/t13-,14?,15?,17?,18?/m1/s1
InChIKeyZFILWJIIGGKVCU-JUOYRWJOSA-N
MW255.41 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine (PubChem CID 81364480) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
PubChem CID81364480
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine
SMILESCc1cccc([C@@H](C)NC(C)C2CC3C=CC2C3)c1
InChIInChI=1S/C18H25N/c1-12-5-4-6-16(9-12)13(2)19-14(3)18-11-15-7-8-17(18)10-15/h4-9,13-15,17-19H,10-11H2,1-3H3/t13-,14?,15?,17?,18?/m1/s1
InChIKeyZFILWJIIGGKVCU-JUOYRWJOSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.25
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

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768140
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
1-(4-fluorophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363847
(1R)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81350639
(1S)-1-(4-fluorophenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 81347759
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(3-bromophenyl)ethanamine
CID 81382032
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine (CID 81364480) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine is Cc1cccc([C@@H](C)NC(C)C2CC3C=CC2C3)c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is ZFILWJIIGGKVCU-JUOYRWJOSA-N. The full InChI is InChI=1S/C18H25N/c1-12-5-4-6-16(9-12)13(2)19-14(3)18-11-15-7-8-17(18)10-15/h4-9,13-15,17-19H,10-11H2,1-3H3/t13-,14?,15?,17?,18?/m1/s1.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 255.41 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81364480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).