1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine

C14H20BrN — CID 105005820

IUPAC1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrN/c1-5-10(2)9-14(16-4)12-8-11(3)6-7-13(12)15/h6-8,14,16H,2,5,9H2,1,3-4H3
InChIKeyNHOIGDBFWQRQRX-UHFFFAOYSA-N
MW282.23 g/mol
LogP4.37
Rot. Bonds5

About 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine

1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine (PubChem CID 105005820) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
PubChem CID105005820
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NC)c1cc(C)ccc1Br
InChIInChI=1S/C14H20BrN/c1-5-10(2)9-14(16-4)12-8-11(3)6-7-13(12)15/h6-8,14,16H,2,5,9H2,1,3-4H3
InChIKeyNHOIGDBFWQRQRX-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006106
N-methyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038280
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methyl-3-methylidenepentan-1-amine
CID 105006170
1-(2-fluoro-3-methylphenyl)-N-methyl-3-methylidenepentan-1-amine
CID 105005948
1-(2-bromo-5-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003885
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
1-(3-bromo-5-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66424843
1-(4-chloro-2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66039712
1-(2-bromo-4-methylphenyl)-N-methylpropan-1-amine
CID 114979523
[1-(2-chloro-4-methylphenyl)-3-methylidenepentyl]hydrazine
CID 106860054
1-(2-bromo-5-methylphenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064056

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine (CID 105005820) is 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine is C=C(CC)CC(NC)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
The InChIKey is NHOIGDBFWQRQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-5-10(2)9-14(16-4)12-8-11(3)6-7-13(12)15/h6-8,14,16H,2,5,9H2,1,3-4H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine?
1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine has a molecular weight of 282.23 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-methyl-3-methylidenepentan-1-amine is sourced from PubChem (CID 105005820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).