N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline

C16H28N2 — CID 43281999

IUPACN-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-11-17-12-15-7-9-16(10-8-15)18(6-2)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyZCPQVVSTKRVRPB-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.67
Rot. Bonds8

About N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline

N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline (PubChem CID 43281999) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
PubChem CID43281999
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(N(CC)CC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-11-17-12-15-7-9-16(10-8-15)18(6-2)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyZCPQVVSTKRVRPB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.67
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

N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline
CID 79491395
2-[N-ethyl-4-(propylaminomethyl)anilino]ethanol
CID 54879735
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
N-ethyl-N-(2-methylpropyl)-2-(propylaminomethyl)pyridin-4-amine
CID 55055011
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N,N-dibutyl-4-(butylaminomethyl)aniline
CID 134517429
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline?
The IUPAC name of N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline (CID 43281999) is N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline is CCCNCc1ccc(N(CC)CC(C)C)cc1.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline?
The InChIKey is ZCPQVVSTKRVRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-11-17-12-15-7-9-16(10-8-15)18(6-2)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3.
What are the key properties of N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline?
N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline has a molecular weight of 248.41 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)aniline is sourced from PubChem (CID 43281999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).