(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine

C11H15BrN2O — CID 153296304

IUPAC(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine
SMILESCC/C(N)=C/Nc1ccc(Br)cc1OC
InChIInChI=1S/C11H15BrN2O/c1-3-9(13)7-14-10-5-4-8(12)6-11(10)15-2/h4-7,14H,3,13H2,1-2H3/b9-7-
InChIKeyOQVYTCNFWKVAQI-CLFYSBASSA-N
MW271.16 g/mol
LogP3.08
Rot. Bonds4

About (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine

(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine (PubChem CID 153296304) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine
PubChem CID153296304
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine
SMILESCC/C(N)=C/Nc1ccc(Br)cc1OC
InChIInChI=1S/C11H15BrN2O/c1-3-9(13)7-14-10-5-4-8(12)6-11(10)15-2/h4-7,14H,3,13H2,1-2H3/b9-7-
InChIKeyOQVYTCNFWKVAQI-CLFYSBASSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (Z)-3-(4-bromo-2-methoxyanilino)-2-nitroprop-2-enoate
CID 146279109
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CID 169341937
(5-bromo-2-methoxyphenyl) propanoate
CID 174969176
4-bromo-N-(2-chloroethyl)-2-methoxyaniline
CID 121473214
N-(4-bromo-2-methoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 19845044
(4-bromo-2-ethoxyphenyl)thiourea
CID 169357041
4-bromo-2-(difluoromethoxy)-N-[(Z)-2-nitrobut-1-enyl]aniline
CID 153296398
prop-1-en-2-yl N-(4-bromo-2-methoxyphenyl)carbamate
CID 89347853
1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
CID 62380389
N-(4-bromo-2-methoxyphenyl)pyridine-4-carboxamide
CID 2174953
methyl 2-(4-bromo-2-ethoxyanilino)propanoate
CID 175074340
N-(5-bromo-2-methoxyphenyl)-N'-cyclopropylmethanimidamide
CID 22663369

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine (CID 153296304) is (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine is CC/C(N)=C/Nc1ccc(Br)cc1OC.
What is the InChIKey of (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine?
The InChIKey is OQVYTCNFWKVAQI-CLFYSBASSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-3-9(13)7-14-10-5-4-8(12)6-11(10)15-2/h4-7,14H,3,13H2,1-2H3/b9-7-.
What are the key properties of (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine?
(Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine has a molecular weight of 271.16 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(4-bromo-2-methoxyphenyl)but-1-ene-1,2-diamine is sourced from PubChem (CID 153296304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).