1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine

C19H29NO — CID 65444730

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N)(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H29NO/c1-2-15-4-3-10-19(20,11-7-15)12-8-16-5-6-18-17(14-16)9-13-21-18/h5-6,14-15H,2-4,7-13,20H2,1H3
InChIKeyLXMCQBQRWDGYLJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.24
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine (PubChem CID 65444730) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine
PubChem CID65444730
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(N)(CCc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H29NO/c1-2-15-4-3-10-19(20,11-7-15)12-8-16-5-6-18-17(14-16)9-13-21-18/h5-6,14-15H,2-4,7-13,20H2,1H3
InChIKeyLXMCQBQRWDGYLJ-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
4-ethyl-1-(2-phenylethyl)cyclohexan-1-amine
CID 60799381
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcyclohexan-1-one
CID 79417676
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698664
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine (CID 65444730) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(N)(CCc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine?
The InChIKey is LXMCQBQRWDGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-15-4-3-10-19(20,11-7-15)12-8-16-5-6-18-17(14-16)9-13-21-18/h5-6,14-15H,2-4,7-13,20H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65444730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).