4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline

C13H22N2 — CID 63782370

IUPAC4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(CCN)cc1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(3)13-6-4-12(5-7-13)8-9-14/h4-7,11H,8-10,14H2,1-3H3
InChIKeyQGTHAFLEGSEAHZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.28
Rot. Bonds5

About 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline

4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 63782370) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
PubChem CID63782370
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(CCN)cc1
InChIInChI=1S/C13H22N2/c1-11(2)10-15(3)13-6-4-12(5-7-13)8-9-14/h4-7,11H,8-10,14H2,1-3H3
InChIKeyQGTHAFLEGSEAHZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
N-methyl-4-(methylaminomethyl)-N-(2-methylpropyl)aniline
CID 43281929
4-[2-[N-methyl-4-(2-methylpropyl)anilino]ethyl]aniline
CID 139610100
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890
4-amino-1-(N-methyl-4-propylanilino)butan-2-ol
CID 117039080
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
N-methyl-N-(2-methylpropyl)-4-(trifluoromethyl)aniline
CID 134254928
4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 63783737

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline (CID 63782370) is 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is QGTHAFLEGSEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-11(2)10-15(3)13-6-4-12(5-7-13)8-9-14/h4-7,11H,8-10,14H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline?
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 206.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 63782370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).