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

C15H26N2O — CID 21465327

IUPAC4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)11-5-6-12-18-15-9-7-14(13-16)8-10-15/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyCXLFHWOZWBLJFS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.65
Rot. Bonds9

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

4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine (PubChem CID 21465327) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
PubChem CID21465327
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O/c1-3-17(4-2)11-5-6-12-18-15-9-7-14(13-16)8-10-15/h7-10H,3-6,11-13,16H2,1-2H3
InChIKeyCXLFHWOZWBLJFS-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.65
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

N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-hexadecylhexadecan-1-amine
CID 12760487
3-[4-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-ethylpropan-1-amine
CID 63954103
(4-decoxyphenyl)methanamine
CID 55187501
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
[4-(3-pentoxypropoxy)phenyl]methanamine
CID 43275017

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The IUPAC name of 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine (CID 21465327) is 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine is CCN(CC)CCCCOc1ccc(CN)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
The InChIKey is CXLFHWOZWBLJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-17(4-2)11-5-6-12-18-15-9-7-14(13-16)8-10-15/h7-10H,3-6,11-13,16H2,1-2H3.
What are the key properties of 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine?
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 21465327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).