2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

C16H23NO — CID 55032271

IUPAC2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCCNC(CC1CC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C16H23NO/c1-3-17-15(9-12-4-5-12)13-6-7-16-14(10-13)8-11(2)18-16/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyAOJOPNLPMJESSF-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 55032271) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID55032271
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCCNC(CC1CC1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C16H23NO/c1-3-17-15(9-12-4-5-12)13-6-7-16-14(10-13)8-11(2)18-16/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3
InChIKeyAOJOPNLPMJESSF-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820033
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
3-[2-cyclopropyl-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105152936

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 55032271) is 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is CCNC(CC1CC1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is AOJOPNLPMJESSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-17-15(9-12-4-5-12)13-6-7-16-14(10-13)8-11(2)18-16/h6-7,10-12,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 55032271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).