1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine

C14H23N3O — CID 80559817

IUPAC1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
SMILESCN(C)CCOc1cccc(NC2CC(N)C2)c1
InChIInChI=1S/C14H23N3O/c1-17(2)6-7-18-14-5-3-4-12(10-14)16-13-8-11(15)9-13/h3-5,10-11,13,16H,6-9,15H2,1-2H3
InChIKeyHNWGZEAZKOQIQZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.53
Rot. Bonds6

About 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine

1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine (PubChem CID 80559817) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
PubChem CID80559817
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
SMILESCN(C)CCOc1cccc(NC2CC(N)C2)c1
InChIInChI=1S/C14H23N3O/c1-17(2)6-7-18-14-5-3-4-12(10-14)16-13-8-11(15)9-13/h3-5,10-11,13,16H,6-9,15H2,1-2H3
InChIKeyHNWGZEAZKOQIQZ-UHFFFAOYSA-N
XLogP1.53
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 79731504
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CID 79458462
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
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4-[2-(dimethylamino)ethoxy]-N-(3-methylcyclobutyl)aniline
CID 104860156
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclohexane-1,4-diamine
CID 79731299
1-N-(3-aminocyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376113
3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine?
The IUPAC name of 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine (CID 80559817) is 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine is CN(C)CCOc1cccc(NC2CC(N)C2)c1.
What is the InChIKey of 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine?
The InChIKey is HNWGZEAZKOQIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)6-7-18-14-5-3-4-12(10-14)16-13-8-11(15)9-13/h3-5,10-11,13,16H,6-9,15H2,1-2H3.
What are the key properties of 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine?
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 80559817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).