1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C18H27N — CID 63502879

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-12(2)14-6-8-15(9-7-14)18(19-3)17-11-13-4-5-16(17)10-13/h6-9,12-13,16-19H,4-5,10-11H2,1-3H3
InChIKeyPLXSDWWFUYGQRT-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.51
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 63502879) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID63502879
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)C1CC2CCC1C2
InChIInChI=1S/C18H27N/c1-12(2)14-6-8-15(9-7-14)18(19-3)17-11-13-4-5-16(17)10-13/h6-9,12-13,16-19H,4-5,10-11H2,1-3H3
InChIKeyPLXSDWWFUYGQRT-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-3-methylphenyl)-N-methylmethanamine
CID 114246694
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 114246647
1-(2-bicyclo[2.2.1]heptanyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 114246814
1-(2-bicyclo[2.2.1]heptanyl)-3-(4-propan-2-ylphenyl)thiourea
CID 2809355
1-(2-bicyclo[2.2.1]heptanyl)-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 4848964
(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[bis(4-fluorophenyl)methyl]ethanamine
CID 98305321
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,5-dimethylpyrrole
CID 98294882
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 63502879) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is PLXSDWWFUYGQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12(2)14-6-8-15(9-7-14)18(19-3)17-11-13-4-5-16(17)10-13/h6-9,12-13,16-19H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 257.42 g/mol, XLogP of 4.51, 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-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 63502879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).