3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline

C13H22N2 — CID 65350312

IUPAC3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
SMILESCC(C)CN(C)CCc1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(3)8-7-12-5-4-6-13(14)9-12/h4-6,9,11H,7-8,10,14H2,1-3H3
InChIKeyFZYJFDNKEDHALG-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.40
Rot. Bonds5

About 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline

3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline (PubChem CID 65350312) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
PubChem CID65350312
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
SMILESCC(C)CN(C)CCc1cccc(N)c1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(3)8-7-12-5-4-6-13(14)9-12/h4-6,9,11H,7-8,10,14H2,1-3H3
InChIKeyFZYJFDNKEDHALG-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65347754
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
N-[2-[4-[2-[amino(methyl)amino]ethyl]phenyl]ethyl]-N,2-dimethylpropan-1-amine
CID 155582548
3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
CID 115342224
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105421343
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
N,2-dimethyl-N-[2-[3-(1,3,5-trimethylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 59370616
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline?
The IUPAC name of 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline (CID 65350312) is 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline?
The canonical SMILES for 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline is CC(C)CN(C)CCc1cccc(N)c1.
What is the InChIKey of 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline?
The InChIKey is FZYJFDNKEDHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)10-15(3)8-7-12-5-4-6-13(14)9-12/h4-6,9,11H,7-8,10,14H2,1-3H3.
What are the key properties of 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline?
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline has a molecular weight of 206.33 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline is sourced from PubChem (CID 65350312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).