N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H27N3O — CID 63695677

IUPACN'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCOc1ccccc1CN
InChIInChI=1S/C15H27N3O/c1-17(2)9-6-10-18(3)11-12-19-15-8-5-4-7-14(15)13-16/h4-5,7-8H,6,9-13,16H2,1-3H3
InChIKeyFNWKIGPZKPIXCZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.41
Rot. Bonds9

About N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695677) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695677
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCOc1ccccc1CN
InChIInChI=1S/C15H27N3O/c1-17(2)9-6-10-18(3)11-12-19-15-8-5-4-7-14(15)13-16/h4-5,7-8H,6,9-13,16H2,1-3H3
InChIKeyFNWKIGPZKPIXCZ-UHFFFAOYSA-N
XLogP1.41
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[2-(aminomethyl)phenoxy]propyl-methylamino]pentan-1-ol
CID 107198493
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CID 43575739
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
2-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-N,N-dimethylacetamide
CID 43374698
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
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2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 43588461
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N-methylbutan-1-amine
CID 62425318
3-[2-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 43530885
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695677) is N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCOc1ccccc1CN.
What is the InChIKey of N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is FNWKIGPZKPIXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-17(2)9-6-10-18(3)11-12-19-15-8-5-4-7-14(15)13-16/h4-5,7-8H,6,9-13,16H2,1-3H3.
What are the key properties of N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).