N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine

C18H32N2O — CID 43588416

IUPACN-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)CCCOc1ccc(CN)cc1
InChIInChI=1S/C18H32N2O/c1-4-16(5-2)15-20(6-3)12-7-13-21-18-10-8-17(14-19)9-11-18/h8-11,16H,4-7,12-15,19H2,1-3H3
InChIKeyCPCOAYLUBGGAHW-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.67
Rot. Bonds11

About N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine

N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine (PubChem CID 43588416) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
PubChem CID43588416
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)CCCOc1ccc(CN)cc1
InChIInChI=1S/C18H32N2O/c1-4-16(5-2)15-20(6-3)12-7-13-21-18-10-8-17(14-19)9-11-18/h8-11,16H,4-7,12-15,19H2,1-3H3
InChIKeyCPCOAYLUBGGAHW-UHFFFAOYSA-N
XLogP3.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
CID 63954103
N,2-diethyl-N-[2-[4-(methylaminomethyl)phenoxy]ethyl]butan-1-amine
CID 62436768
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
4-[2-[ethyl(2-ethylbutyl)amino]ethoxy]benzenecarbothioamide
CID 61436777
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
(4-decoxyphenyl)methanamine
CID 55187501
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine (CID 43588416) is N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)CCCOc1ccc(CN)cc1.
What is the InChIKey of N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine?
The InChIKey is CPCOAYLUBGGAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-16(5-2)15-20(6-3)12-7-13-21-18-10-8-17(14-19)9-11-18/h8-11,16H,4-7,12-15,19H2,1-3H3.
What are the key properties of N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine?
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 43588416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).