N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C15H25N — CID 116544032

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCCC(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H25N/c1-5-7-15(16-4)14-9-6-8-13(11-14)10-12(2)3/h6,8-9,11-12,15-16H,5,7,10H2,1-4H3
InChIKeyZYIMCUIQOLHPEI-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.95
Rot. Bonds6

About N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 116544032) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID116544032
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCCC(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H25N/c1-5-7-15(16-4)14-9-6-8-13(11-14)10-12(2)3/h6,8-9,11-12,15-16H,5,7,10H2,1-4H3
InChIKeyZYIMCUIQOLHPEI-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
CID 105050603
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
1-[3-(2-methylpropyl)phenyl]nonylhydrazine
CID 105340725
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
N-methyl-1-[3-(2-methylpentyl)phenyl]ethanamine
CID 123206397
2-(1,3-dioxolan-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 103547251
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
[3-methyl-1-[3-(2-methylpropyl)phenyl]pentyl]hydrazine
CID 105340703
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 116544032) is N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CCCC(NC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is ZYIMCUIQOLHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-15(16-4)14-9-6-8-13(11-14)10-12(2)3/h6,8-9,11-12,15-16H,5,7,10H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 116544032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).