(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine

C14H20BrNO2 — CID 4661374

IUPAC(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
SMILESCCOc1cc(Br)c(C(N)C2CC2)cc1OCC
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14H,3-6,16H2,1-2H3
InChIKeyANQLTPSUGOCDKS-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.66
Rot. Bonds6

About (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine

(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine (PubChem CID 4661374) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
PubChem CID4661374
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
SMILESCCOc1cc(Br)c(C(N)C2CC2)cc1OCC
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14H,3-6,16H2,1-2H3
InChIKeyANQLTPSUGOCDKS-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4683614
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
CID 43492609
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
4-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]oxane
CID 62905177
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
(S)-(2-bromo-4-fluoro-5-methylphenyl)-cyclopropylmethanamine
CID 131080956
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine?
The IUPAC name of (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine (CID 4661374) is (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine?
The canonical SMILES for (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine is CCOc1cc(Br)c(C(N)C2CC2)cc1OCC.
What is the InChIKey of (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine?
The InChIKey is ANQLTPSUGOCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-17-12-7-10(14(16)9-5-6-9)11(15)8-13(12)18-4-2/h7-9,14H,3-6,16H2,1-2H3.
What are the key properties of (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine?
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 4661374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).