(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine

C14H18BrNO2 — CID 117497231

IUPAC(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine
SMILESCOc1ccc(Br)c(/C=C/CN)c1OCC1CC1
InChIInChI=1S/C14H18BrNO2/c1-17-13-7-6-12(15)11(3-2-8-16)14(13)18-9-10-4-5-10/h2-3,6-7,10H,4-5,8-9,16H2,1H3/b3-2+
InChIKeyZNLZDQOHFTYBGV-NSCUHMNNSA-N
MW312.21 g/mol
LogP3.22
Rot. Bonds6

About (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine

(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine (PubChem CID 117497231) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine
PubChem CID117497231
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine
SMILESCOc1ccc(Br)c(/C=C/CN)c1OCC1CC1
InChIInChI=1S/C14H18BrNO2/c1-17-13-7-6-12(15)11(3-2-8-16)14(13)18-9-10-4-5-10/h2-3,6-7,10H,4-5,8-9,16H2,1H3/b3-2+
InChIKeyZNLZDQOHFTYBGV-NSCUHMNNSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzonitrile
CID 117453043
(E)-3-[4-bromo-3-(cyclopropylmethoxy)phenyl]prop-2-en-1-amine
CID 117453223
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzoic acid
CID 117484659
2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene
CID 176513489
(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957
(E)-3-(3-bromo-2,4-dimethoxyphenyl)prop-2-en-1-amine
CID 117432746
[1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]cyclopropyl]methanamine
CID 117371168
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
CID 117343380
1-bromo-5-(bromomethyl)-2-(cyclopentylmethoxy)-3-methoxybenzene
CID 63535191
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
CID 171373950
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine (CID 117497231) is (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine is COc1ccc(Br)c(/C=C/CN)c1OCC1CC1.
What is the InChIKey of (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine?
The InChIKey is ZNLZDQOHFTYBGV-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-17-13-7-6-12(15)11(3-2-8-16)14(13)18-9-10-4-5-10/h2-3,6-7,10H,4-5,8-9,16H2,1H3/b3-2+.
What are the key properties of (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine?
(E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine has a molecular weight of 312.21 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-bromo-2-(cyclopropylmethoxy)-3-methoxyphenyl]prop-2-en-1-amine is sourced from PubChem (CID 117497231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).