4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline

C16H28N2 — CID 55236601

IUPAC4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-18(11-12(2)3)16-8-7-15(10-14(5)17)13(4)9-16/h7-9,12,14H,6,10-11,17H2,1-5H3
InChIKeyVAGRBHNAVGHPJJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.37
Rot. Bonds6

About 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline

4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline (PubChem CID 55236601) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
PubChem CID55236601
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
SMILESCCN(CC(C)C)c1ccc(CC(C)N)c(C)c1
InChIInChI=1S/C16H28N2/c1-6-18(11-12(2)3)16-8-7-15(10-14(5)17)13(4)9-16/h7-9,12,14H,6,10-11,17H2,1-5H3
InChIKeyVAGRBHNAVGHPJJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.37
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

4-(chloromethyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 63540964
N-ethyl-3-methyl-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]aniline
CID 62134843
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2-methylpropyl)aniline
CID 115366683
2-amino-3-[4-(diethylamino)-2-methylphenyl]propanoic acid
CID 170880204
4-(2-aminopropyl)-N-cyclopentyl-N-ethyl-3-methylaniline
CID 63786963
4-(bromomethyl)-N-ethyl-3-methyl-N-(2-methylbutyl)aniline
CID 107084418
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
4-(2-aminopropyl)-N,3-dimethylaniline
CID 10035180
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline (CID 55236601) is 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline is CCN(CC(C)C)c1ccc(CC(C)N)c(C)c1.
What is the InChIKey of 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline?
The InChIKey is VAGRBHNAVGHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(11-12(2)3)16-8-7-15(10-14(5)17)13(4)9-16/h7-9,12,14H,6,10-11,17H2,1-5H3.
What are the key properties of 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline?
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 55236601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).