2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine

C17H26BrNO2 — CID 103523809

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C17H26BrNO2/c1-4-19-14-9-7-5-6-8-12(14)13-10-11-15(20-2)16(18)17(13)21-3/h10-12,14,19H,4-9H2,1-3H3
InChIKeyOPGKNNANEGPPHC-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine

2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine (PubChem CID 103523809) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
PubChem CID103523809
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCCC1c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C17H26BrNO2/c1-4-19-14-9-7-5-6-8-12(14)13-10-11-15(20-2)16(18)17(13)21-3/h10-12,14,19H,4-9H2,1-3H3
InChIKeyOPGKNNANEGPPHC-UHFFFAOYSA-N
XLogP4.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-N-methylcyclopentan-1-amine
CID 103523805
1-[2-(3-bromo-2,4-dimethoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 103524175
1-(3-bromo-2,4-dimethoxyphenyl)-2-chlorocycloheptane
CID 103523791
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
N-ethyl-2-(2,4,5-trimethylphenyl)cyclohexan-1-amine
CID 64990219
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
2-(2,6-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 116811017
2-(2-methoxy-3,4-dimethylphenyl)-N-methylcycloheptan-1-amine
CID 103434249
2-(2,4-dimethoxyphenyl)-N-methylcycloheptan-1-amine
CID 62802296
N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
CID 107664408
cis-(1R,2R)-2-(2-bromo-5-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 10358996

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine (CID 103523809) is 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCCC1c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine?
The InChIKey is OPGKNNANEGPPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-4-19-14-9-7-5-6-8-12(14)13-10-11-15(20-2)16(18)17(13)21-3/h10-12,14,19H,4-9H2,1-3H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 103523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).