N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine

C18H25NO — CID 115400823

IUPACN-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1(C)C(NC2COc3ccccc32)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C18H25NO/c1-17(2)12-8-9-18(3,10-12)16(17)19-14-11-20-15-7-5-4-6-13(14)15/h4-7,12,14,16,19H,8-11H2,1-3H3/t12-,14?,16?,18+/m0/s1
InChIKeyWEOHNBIAFISZDL-OXEWVQNLSA-N
MW271.40 g/mol
LogP3.92
Rot. Bonds2

About N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 115400823) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID115400823
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCC1(C)C(NC2COc3ccccc32)[C@]2(C)CC[C@H]1C2
InChIInChI=1S/C18H25NO/c1-17(2)12-8-9-18(3,10-12)16(17)19-14-11-20-15-7-5-4-6-13(14)15/h4-7,12,14,16,19H,8-11H2,1-3H3/t12-,14?,16?,18+/m0/s1
InChIKeyWEOHNBIAFISZDL-OXEWVQNLSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine with MolForge

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2,3-dihydro-1-benzofuran-3-amine
CID 79857768
N-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701175
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 115418421
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223490
N-(3-propan-2-ylcyclobutyl)-2,3-dihydro-1-benzofuran-3-amine
CID 103561957
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1-benzofuran-3-amine
CID 64763118
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,6,6-tetramethylpiperidin-4-amine
CID 43182350
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
N,1,1-trimethyl-2,2a,3,8b-tetrahydrocyclobuta[c]chromen-2-amine
CID 81421466
3-[(3,3-dimethylcyclopentyl)amino]-2,3-dihydro-1-benzofuran-6-ol
CID 114544160
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103966172

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine (CID 115400823) is N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine is CC1(C)C(NC2COc3ccccc32)[C@]2(C)CC[C@H]1C2.
What is the InChIKey of N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WEOHNBIAFISZDL-OXEWVQNLSA-N. The full InChI is InChI=1S/C18H25NO/c1-17(2)12-8-9-18(3,10-12)16(17)19-14-11-20-15-7-5-4-6-13(14)15/h4-7,12,14,16,19H,8-11H2,1-3H3/t12-,14?,16?,18+/m0/s1.
What are the key properties of N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 271.40 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 115400823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).