N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine

C16H24BrNO2 — CID 43492609

IUPACN-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(OCC)c(OCC)cc1Br)C1CC1
InChIInChI=1S/C16H24BrNO2/c1-4-18-16(11-7-8-11)12-9-14(19-5-2)15(20-6-3)10-13(12)17/h9-11,16,18H,4-8H2,1-3H3
InChIKeyWOVJNHBLBUJLCY-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.31
Rot. Bonds8

About N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine

N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine (PubChem CID 43492609) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
PubChem CID43492609
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
SMILESCCNC(c1cc(OCC)c(OCC)cc1Br)C1CC1
InChIInChI=1S/C16H24BrNO2/c1-4-18-16(11-7-8-11)12-9-14(19-5-2)15(20-6-3)10-13(12)17/h9-11,16,18H,4-8H2,1-3H3
InChIKeyWOVJNHBLBUJLCY-UHFFFAOYSA-N
XLogP4.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethyl]ethanamine
CID 43492667
(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4683614
4-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]oxane
CID 62905177
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[(2-bromo-4,5-dimethoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 62213531
N-[(4-bromo-2-methoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988095
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
N-[(4-bromonaphthalen-1-yl)-cyclopropylmethyl]ethanamine
CID 79596933
N-[(5-bromo-2-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 104994290

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine (CID 43492609) is N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine is CCNC(c1cc(OCC)c(OCC)cc1Br)C1CC1.
What is the InChIKey of N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine?
The InChIKey is WOVJNHBLBUJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-18-16(11-7-8-11)12-9-14(19-5-2)15(20-6-3)10-13(12)17/h9-11,16,18H,4-8H2,1-3H3.
What are the key properties of N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine?
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine has a molecular weight of 342.28 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine is sourced from PubChem (CID 43492609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).