2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine

C13H20BrNO — CID 63942073

IUPAC2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-2-15-12-7-5-3-4-6-10(12)13-11(14)8-9-16-13/h8-10,12,15H,2-7H2,1H3
InChIKeyDPWXKYDEIHBDAO-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.07
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine

2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine (PubChem CID 63942073) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
PubChem CID63942073
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1occc1Br
InChIInChI=1S/C13H20BrNO/c1-2-15-12-7-5-3-4-6-10(12)13-11(14)8-9-16-13/h8-10,12,15H,2-7H2,1H3
InChIKeyDPWXKYDEIHBDAO-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
2-(4-bromo-1-methylpyrazol-5-yl)-N-ethylcycloheptan-1-amine
CID 114662950
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
CID 107784224
N-ethyl-2-(3-methylphenyl)cycloheptan-1-amine
CID 62604421
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
CID 81009088
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine (CID 63942073) is 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine?
The InChIKey is DPWXKYDEIHBDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-2-15-12-7-5-3-4-6-10(12)13-11(14)8-9-16-13/h8-10,12,15H,2-7H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine?
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 63942073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).