3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine

C15H26N2O — CID 82037287

IUPAC3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCC(C)Oc1cccc(CN)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)10-9-13(3)18-15-8-6-7-14(11-15)12-16/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3
InChIKeyZHQWAOAFTRISOU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.64
Rot. Bonds8

About 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine

3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine (PubChem CID 82037287) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
PubChem CID82037287
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCC(C)Oc1cccc(CN)c1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)10-9-13(3)18-15-8-6-7-14(11-15)12-16/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3
InChIKeyZHQWAOAFTRISOU-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(diethylamino)butan-2-yloxy]aniline
CID 82037005
3-[3-(aminomethyl)phenoxy]butanenitrile
CID 106485040
2-(3-pentan-2-yloxyphenyl)ethanamine
CID 107885455
N-[(3-butan-2-yloxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 54849186
[3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]phenyl]methanamine
CID 82037299
[3-(1,3-difluoropropan-2-yloxy)phenyl]methanamine
CID 58218153
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-ethylpropan-2-amine
CID 43265455
3-[3-(aminomethyl)phenoxy]-N-ethyl-N-propan-2-ylpropan-1-amine
CID 43265457
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]butanamide
CID 55210264
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
3-[3-[(2R)-butan-2-yl]oxyphenyl]propan-1-amine
CID 141378858

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The IUPAC name of 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine (CID 82037287) is 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The canonical SMILES for 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine is CCN(CC)CCC(C)Oc1cccc(CN)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The InChIKey is ZHQWAOAFTRISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)10-9-13(3)18-15-8-6-7-14(11-15)12-16/h6-8,11,13H,4-5,9-10,12,16H2,1-3H3.
What are the key properties of 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 82037287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).