1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine

C18H28BrNO — CID 82953599

IUPAC1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OC1CCCC(CC)C1
InChIInChI=1S/C18H28BrNO/c1-4-14-7-6-8-16(11-14)21-18-12-15(19)9-10-17(18)13(3)20-5-2/h9-10,12-14,16,20H,4-8,11H2,1-3H3
InChIKeyNFGCJJXQKKWIAK-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.47
Rot. Bonds6

About 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine

1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine (PubChem CID 82953599) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
PubChem CID82953599
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Br)cc1OC1CCCC(CC)C1
InChIInChI=1S/C18H28BrNO/c1-4-14-7-6-8-16(11-14)21-18-12-15(19)9-10-17(18)13(3)20-5-2/h9-10,12-14,16,20H,4-8,11H2,1-3H3
InChIKeyNFGCJJXQKKWIAK-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
1-[4-bromo-2-(cyclobutylmethoxy)phenyl]-N-ethylethanamine
CID 102947699
4-bromo-2-(3-ethylcyclohexyl)oxybenzenecarboximidamide
CID 114904900
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
1-[5-bromo-2-(oxan-3-yloxy)phenyl]-N-ethylethanamine
CID 107134357
1-[5-bromo-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63500340
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 82972044
1-[4-bromo-2-(cyclopentylmethylsulfanyl)phenyl]-N-ethylethanamine
CID 82970000
N-(cyclobutylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781645
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine (CID 82953599) is 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(Br)cc1OC1CCCC(CC)C1.
What is the InChIKey of 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The InChIKey is NFGCJJXQKKWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-4-14-7-6-8-16(11-14)21-18-12-15(19)9-10-17(18)13(3)20-5-2/h9-10,12-14,16,20H,4-8,11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine?
1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine has a molecular weight of 354.33 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(3-ethylcyclohexyl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 82953599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).