N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H29N3 — CID 65347754

IUPACN'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCc1cccc(N)c1)CCN(C)C
InChIInChI=1S/C16H29N3/c1-14(2)13-19(11-10-18(3)4)9-8-15-6-5-7-16(17)12-15/h5-7,12,14H,8-11,13,17H2,1-4H3
InChIKeyHHEHPAYNUDMXBE-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.33
Rot. Bonds8

About N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65347754) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65347754
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCc1cccc(N)c1)CCN(C)C
InChIInChI=1S/C16H29N3/c1-14(2)13-19(11-10-18(3)4)9-8-15-6-5-7-16(17)12-15/h5-7,12,14H,8-11,13,17H2,1-4H3
InChIKeyHHEHPAYNUDMXBE-UHFFFAOYSA-N
XLogP2.33
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
N'-[(3-aminophenyl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 43460249
N'-[3-(4-aminophenyl)propyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115341967
3-[3-[2-methylpropyl(pentan-3-yl)amino]propyl]aniline
CID 115342224
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
3-[[ethyl(4-methylpentyl)amino]methyl]aniline
CID 83157449
ethane;3-propylaniline;vanadium
CID 143596420
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65347754) is N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCc1cccc(N)c1)CCN(C)C.
What is the InChIKey of N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is HHEHPAYNUDMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-14(2)13-19(11-10-18(3)4)9-8-15-6-5-7-16(17)12-15/h5-7,12,14H,8-11,13,17H2,1-4H3.
What are the key properties of N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 263.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-aminophenyl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65347754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).