2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine

C17H26BrNO — CID 63403341

IUPAC2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-19-17-7-5-3-4-6-14(17)12-13-20-16-10-8-15(18)9-11-16/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyRMEBBRKSKQIDJM-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.78
Rot. Bonds6

About 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine

2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine (PubChem CID 63403341) has the molecular formula C17H26BrNO and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
PubChem CID63403341
Molecular FormulaC17H26BrNO
Molecular Weight340.30 g/mol
Exact Mass339.12
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1CCOc1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-19-17-7-5-3-4-6-14(17)12-13-20-16-10-8-15(18)9-11-16/h8-11,14,17,19H,2-7,12-13H2,1H3
InChIKeyRMEBBRKSKQIDJM-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[2-(2,4,6-tribromophenoxy)ethyl]cyclopentan-1-amine
CID 79573640
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
2-[2-(2-butoxyethoxy)ethyl]-N-ethylcyclopentan-1-amine
CID 79572805
1-bromo-4-[2-(2-ethylcyclohexyl)oxyethoxy]benzene
CID 55192995
2-[2-(4-bromophenoxy)ethyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63403442
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
2-(4-bromophenyl)sulfonyl-N-ethylcycloheptan-1-amine
CID 64645455
N-ethyl-2-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopentan-1-amine
CID 79572317
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
2-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexan-1-amine
CID 63403440
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79572785

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine (CID 63403341) is 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1CCOc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine?
The InChIKey is RMEBBRKSKQIDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-19-17-7-5-3-4-6-14(17)12-13-20-16-10-8-15(18)9-11-16/h8-11,14,17,19H,2-7,12-13H2,1H3.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine?
2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine has a molecular weight of 340.30 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 63403341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).