3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine

C12H16BrN — CID 169474633

IUPAC3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
SMILESCCc1cc(Br)ccc1C=CCNC
InChIInChI=1S/C12H16BrN/c1-3-10-9-12(13)7-6-11(10)5-4-8-14-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyDZBGJRWAUJWXSB-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine

3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine (PubChem CID 169474633) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
PubChem CID169474633
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine
SMILESCCc1cc(Br)ccc1C=CCNC
InChIInChI=1S/C12H16BrN/c1-3-10-9-12(13)7-6-11(10)5-4-8-14-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyDZBGJRWAUJWXSB-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-2-ethylphenyl)prop-2-ene-1-thiol
CID 169456247
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
S-[3-(4-bromo-2-ethylphenyl)prop-2-enyl] ethanethioate
CID 169458300
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
4-bromo-2-(methylaminomethyl)benzaldehyde
CID 178141211
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
N-[3-(2-amino-4-bromophenyl)prop-2-enyl]acetamide
CID 169466523
methyl 3-bromo-4-[3-(methylamino)prop-1-enyl]benzoate
CID 169474662
4-bromo-3-[3-(methylamino)prop-1-enyl]phenol
CID 169474804
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine (CID 169474633) is 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine is CCc1cc(Br)ccc1C=CCNC.
What is the InChIKey of 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is DZBGJRWAUJWXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-3-10-9-12(13)7-6-11(10)5-4-8-14-2/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine?
3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-ethylphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).