[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine

C18H25NO — CID 79558252

IUPAC[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(CC2CC3CCC2C3)CCOc2ccccc21
InChIInChI=1S/C18H25NO/c19-12-18(11-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-1-3-16(17)18/h1-4,13-15H,5-12,19H2
InChIKeyLBGAJOBXKNCWKI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.49
Rot. Bonds3

About [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine

[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 79558252) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
PubChem CID79558252
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(CC2CC3CCC2C3)CCOc2ccccc21
InChIInChI=1S/C18H25NO/c19-12-18(11-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-1-3-16(17)18/h1-4,13-15H,5-12,19H2
InChIKeyLBGAJOBXKNCWKI-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]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

9H-Xanthene-9-methanamine
CID 15645577
C-[3-(4-Methoxy-phenyl)-bicyclo[2.2.1]hept-2-yl]-methylamine
CID 44382473
3,4-dihydro-2H-1-benzopyran-4-ylmethanamine
CID 13362727
C-[3-(2-Methoxy-phenyl)-bicyclo[2.2.1]hept-2-yl]-methylamine
CID 44382437
C-[3-(3-Methoxy-phenyl)-bicyclo[2.2.1]hept-2-yl]-methylamine
CID 44382474
4-(4-(tert-Butyl)-2-cyclopentylphenoxy)butylamine
CID 104315
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
CID 97125876
(6-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl)methanamine
CID 82075091
1-(7-fluoro-3,4-dihydro-2H-1-benzopyran-4-yl)methanamine
CID 82600929
[7-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 90237835
[7-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 90240384
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 90241806

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine (CID 79558252) is [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine is NCC1(CC2CC3CCC2C3)CCOc2ccccc21.
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is LBGAJOBXKNCWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c19-12-18(11-15-10-13-5-6-14(15)9-13)7-8-20-17-4-2-1-3-16(17)18/h1-4,13-15H,5-12,19H2.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine?
[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 271.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 79558252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).