N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

C14H25N3 — CID 43460249

IUPACN'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)Cc1cccc(N)c1
InChIInChI=1S/C14H25N3/c1-12(2)17(9-8-16(3)4)11-13-6-5-7-14(15)10-13/h5-7,10,12H,8-9,11,15H2,1-4H3
InChIKeyYGCOXIIXEMSNEI-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.04
Rot. Bonds6

About N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine

N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 43460249) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID43460249
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN(C)C)Cc1cccc(N)c1
InChIInChI=1S/C14H25N3/c1-12(2)17(9-8-16(3)4)11-13-6-5-7-14(15)10-13/h5-7,10,12H,8-9,11,15H2,1-4H3
InChIKeyYGCOXIIXEMSNEI-UHFFFAOYSA-N
XLogP2.04
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine 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

3-[[3-fluoropropyl(propan-2-yl)amino]methyl]aniline
CID 81105778
3-[[propan-2-yl(2-propan-2-ylsulfonylethyl)amino]methyl]aniline
CID 106725918
3-[[(4-bromophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460270
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-[[(3-aminophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 43460263
5-[(3-aminophenyl)methyl-propan-2-ylamino]-2,2-dimethylpentanenitrile
CID 65255927
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65347754
3-[[(5-methyl-3-pyridinyl)methyl-propan-2-ylamino]methyl]aniline
CID 102881505
3-[[(2,5-dichlorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 65317778
3-[[propan-2-yl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43460245
1-[2-[(3-aminophenyl)methyl-propan-2-ylamino]ethyl]imidazolidin-2-one
CID 43460290

Frequently Asked Questions

What is the IUPAC name of N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine (CID 43460249) is N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN(C)C)Cc1cccc(N)c1.
What is the InChIKey of N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is YGCOXIIXEMSNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17(9-8-16(3)4)11-13-6-5-7-14(15)10-13/h5-7,10,12H,8-9,11,15H2,1-4H3.
What are the key properties of N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine?
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43460249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).