N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline

C16H28N2 — CID 63060702

IUPACN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCCCCN(C)c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-6-11-18(4)16-9-7-15(8-10-16)13-17-12-14(2)3/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyHVDXQJBFFOGOOJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.67
Rot. Bonds8

About N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline

N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63060702) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63060702
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCCCCN(C)c1ccc(CNCC(C)C)cc1
InChIInChI=1S/C16H28N2/c1-5-6-11-18(4)16-9-7-15(8-10-16)13-17-12-14(2)3/h7-10,14,17H,5-6,11-13H2,1-4H3
InChIKeyHVDXQJBFFOGOOJ-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'}

Analyze N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]-2-propan-2-yloxyaniline
CID 84750591
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62418494
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N,4-dibutyl-N-methylaniline
CID 118183375
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-(3-methoxypropyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63007852
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline (CID 63060702) is N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline is CCCCN(C)c1ccc(CNCC(C)C)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is HVDXQJBFFOGOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-6-11-18(4)16-9-7-15(8-10-16)13-17-12-14(2)3/h7-10,14,17H,5-6,11-13H2,1-4H3.
What are the key properties of N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline?
N-butyl-N-methyl-4-[(2-methylpropylamino)methyl]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-butyl-N-methyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63060702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).