1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine

C16H23N — CID 61365938

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C16H23N/c1-17-16(11-12-5-3-2-4-6-12)15-10-13-7-8-14(15)9-13/h2-6,13-17H,7-11H2,1H3
InChIKeyQJNSMOVSUGFNHQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.25
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine (PubChem CID 61365938) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
PubChem CID61365938
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C16H23N/c1-17-16(11-12-5-3-2-4-6-12)15-10-13-7-8-14(15)9-13/h2-6,13-17H,7-11H2,1H3
InChIKeyQJNSMOVSUGFNHQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61365937
[1-(2-bicyclo[2.2.1]heptanyl)-2-phenylethyl]hydrazine
CID 105266574
1-(2-bicyclo[2.2.1]heptanyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61365737
(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-phenylethyl)ethanamine
CID 43178312
[1-(2-bicyclo[2.2.1]heptanyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105266614
(1R,2R,4R)-N-[(2R)-1-phenylpropan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 98111949
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050823

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine (CID 61365938) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine?
The InChIKey is QJNSMOVSUGFNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-17-16(11-12-5-3-2-4-6-12)15-10-13-7-8-14(15)9-13/h2-6,13-17H,7-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-2-phenylethanamine has a molecular weight of 229.37 g/mol, XLogP of 3.25, 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]heptanyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 61365938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).