3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

C14H20BrN — CID 79338287

IUPAC3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1cccc(Br)c1)CNCC(C)C
InChIInChI=1S/C14H20BrN/c1-11(2)9-16-10-12(3)7-13-5-4-6-14(15)8-13/h4-8,11,16H,9-10H2,1-3H3
InChIKeyIWGWPTFFJZOKRL-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.10
Rot. Bonds5

About 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine

3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (PubChem CID 79338287) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
PubChem CID79338287
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
SMILESCC(=Cc1cccc(Br)c1)CNCC(C)C
InChIInChI=1S/C14H20BrN/c1-11(2)9-16-10-12(3)7-13-5-4-6-14(15)8-13/h4-8,11,16H,9-10H2,1-3H3
InChIKeyIWGWPTFFJZOKRL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471
3-(3,4-difluorophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337268
N-[3-(3-bromophenyl)-2-methylprop-2-enyl]cyclopropanamine
CID 79340531
3-(4-fluoro-3-methylphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338174
2-methyl-N-(2-methylpropyl)-3-pyridin-4-ylprop-2-en-1-amine
CID 79340967
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79337473
2-methyl-N-(2-methylpropyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-amine
CID 79337574
3-(3,5-dibromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 113394143
1-bromo-3-[(E)-2-methylhept-1-enyl]benzene
CID 173028155
methyl 4-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]benzoate
CID 79337977
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine (CID 79338287) is 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is CC(=Cc1cccc(Br)c1)CNCC(C)C.
What is the InChIKey of 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
The InChIKey is IWGWPTFFJZOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-11(2)9-16-10-12(3)7-13-5-4-6-14(15)8-13/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine?
3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine has a molecular weight of 282.23 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 79338287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).