N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline

C16H28N2 — CID 62134332

IUPACN-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-6-10-17-12-15-8-9-16(11-14(15)5)18(7-2)13(3)4/h8-9,11,13,17H,6-7,10,12H2,1-5H3
InChIKeyXAONQPUJEHIHQI-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.73
Rot. Bonds7

About N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline

N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline (PubChem CID 62134332) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
PubChem CID62134332
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)C(C)C)cc1C
InChIInChI=1S/C16H28N2/c1-6-10-17-12-15-8-9-16(11-14(15)5)18(7-2)13(3)4/h8-9,11,13,17H,6-7,10,12H2,1-5H3
InChIKeyXAONQPUJEHIHQI-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-ethyl-N-propan-2-yl-4-(propylaminomethyl)aniline
CID 114064614
N-ethyl-3-methyl-N-phenyl-4-(propylaminomethyl)aniline
CID 63551327
2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]ethanol
CID 62135723
N-methyl-N-[3-methyl-4-(propylaminomethyl)phenyl]oxan-4-amine
CID 62136388
2-[4-[(2-methoxyethylamino)methyl]-3-methyl-N-propan-2-ylanilino]acetamide
CID 63072063
4-(butylaminomethyl)-N-ethyl-3-methyl-N-propylaniline
CID 145098744
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
N-methyl-2-[3-methyl-N-propyl-4-(propylaminomethyl)anilino]acetamide
CID 62128436
2-N-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190010
N-[[4-(4,5-dimethylimidazol-1-yl)-2-methylphenyl]methyl]propan-1-amine
CID 62350576
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline (CID 62134332) is N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CC)C(C)C)cc1C.
What is the InChIKey of N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline?
The InChIKey is XAONQPUJEHIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-10-17-12-15-8-9-16(11-14(15)5)18(7-2)13(3)4/h8-9,11,13,17H,6-7,10,12H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline?
N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-propan-2-yl-4-(propylaminomethyl)aniline is sourced from PubChem (CID 62134332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).