3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine

C12H20N2O — CID 63062749

IUPAC3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCOCCCN(C)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-10-11(13)6-4-7-12(10)14(2)8-5-9-15-3/h4,6-7H,5,8-9,13H2,1-3H3
InChIKeyJIXMTZFVYHFPBB-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.05
Rot. Bonds5

About 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine

3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 63062749) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID63062749
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCOCCCN(C)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-10-11(13)6-4-7-12(10)14(2)8-5-9-15-3/h4,6-7H,5,8-9,13H2,1-3H3
InChIKeyJIXMTZFVYHFPBB-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 81059669
2-[3-methoxypropyl(methyl)amino]phenol
CID 134473103
2-amino-3-[3-methoxypropyl(methyl)amino]benzoic acid
CID 115545998
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-(aminomethyl)-3-fluoro-N-(3-methoxypropyl)-N-methylaniline
CID 79517799
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
3-[[bis(2-methoxyethyl)amino]methyl]-2-methylaniline
CID 43587897
3-chloro-1-N-(2-methoxyethyl)-1-N-methylbenzene-1,2-diamine
CID 104834240

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine (CID 63062749) is 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine is COCCCN(C)c1cccc(N)c1C.
What is the InChIKey of 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is JIXMTZFVYHFPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-11(13)6-4-7-12(10)14(2)8-5-9-15-3/h4,6-7H,5,8-9,13H2,1-3H3.
What are the key properties of 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine?
3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 63062749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).