3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine

C14H24N2O — CID 113392453

IUPAC3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1cccc(OCC)c1N
InChIInChI=1S/C14H24N2O/c1-4-10-16(11-5-2)12-8-7-9-13(14(12)15)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyZRZNNWXJGIAACI-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.29
Rot. Bonds7

About 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine

3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine (PubChem CID 113392453) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
PubChem CID113392453
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine
SMILESCCCN(CCC)c1cccc(OCC)c1N
InChIInChI=1S/C14H24N2O/c1-4-10-16(11-5-2)12-8-7-9-13(14(12)15)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3
InChIKeyZRZNNWXJGIAACI-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.29
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-amino-3-ethoxy-N-methylanilino)-N-methylpropanamide
CID 106914206
1-[2-amino-3-(dipropylamino)phenyl]ethanone
CID 70335782
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
1-N-[2-(dimethylamino)phenyl]-3-ethoxybenzene-1,2-diamine
CID 106759471
(2-amino-3-ethoxyphenyl)boronic acid
CID 68788606
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
CID 86051450
2-amino-3-ethoxybenzonitrile
CID 82014474
4-[(2-amino-3-ethoxy-N-methylanilino)methyl]oxan-4-ol
CID 114947773
2-amino-3,6-diethoxybenzenethiol
CID 65053438
2,3-diethoxy-N,N-dimethylaniline
CID 150665262
2-amino-3-ethoxybenzamide
CID 70121071
methyl 2-amino-3-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115545739

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine?
The IUPAC name of 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine (CID 113392453) is 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine.
What is the SMILES notation for 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine?
The canonical SMILES for 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine is CCCN(CCC)c1cccc(OCC)c1N.
What is the InChIKey of 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine?
The InChIKey is ZRZNNWXJGIAACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-10-16(11-5-2)12-8-7-9-13(14(12)15)17-6-3/h7-9H,4-6,10-11,15H2,1-3H3.
What are the key properties of 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine?
3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-N,1-N-dipropylbenzene-1,2-diamine is sourced from PubChem (CID 113392453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).