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

C14H20BrNO2 — CID 4683614

IUPAC(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
SMILESCCOc1cc(C(N)C2CC2)c(OCC)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-8-11(15)13(18-4-2)7-10(12)14(16)9-5-6-9/h7-9,14H,3-6,16H2,1-2H3
InChIKeyYOOPEOCLPDHUNO-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.66
Rot. Bonds6

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

(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine (PubChem CID 4683614) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
PubChem CID4683614
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine
SMILESCCOc1cc(C(N)C2CC2)c(OCC)cc1Br
InChIInChI=1S/C14H20BrNO2/c1-3-17-12-8-11(15)13(18-4-2)7-10(12)14(16)9-5-6-9/h7-9,14H,3-6,16H2,1-2H3
InChIKeyYOOPEOCLPDHUNO-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

(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine
CID 43311323
(S)-(5-bromo-2-ethoxyphenyl)-cyclopentylmethanamine;hydrochloride
CID 171226092
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
(R)-(5-bromo-2-ethoxyphenyl)-cyclohexylmethanamine;hydrochloride
CID 171206520
N-[(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethyl]ethanamine
CID 43492609
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine?
The IUPAC name of (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine (CID 4683614) is (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine.
What is the SMILES notation for (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine?
The canonical SMILES for (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine is CCOc1cc(C(N)C2CC2)c(OCC)cc1Br.
What is the InChIKey of (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine?
The InChIKey is YOOPEOCLPDHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-17-12-8-11(15)13(18-4-2)7-10(12)14(16)9-5-6-9/h7-9,14H,3-6,16H2,1-2H3.
What are the key properties of (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine?
(4-bromo-2,5-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 (4-bromo-2,5-diethoxyphenyl)-cyclopropylmethanamine is sourced from PubChem (CID 4683614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).