4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine

C18H31NO — CID 2058010

IUPAC4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19(7-2)14-8-9-15-20-17-12-10-16(11-13-17)18(3,4)5/h10-13H,6-9,14-15H2,1-5H3
InChIKeyBXWBJPGGXORVPO-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.48
Rot. Bonds8

About 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine

4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine (PubChem CID 2058010) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
PubChem CID2058010
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-19(7-2)14-8-9-15-20-17-12-10-16(11-13-17)18(3,4)5/h10-13H,6-9,14-15H2,1-5H3
InChIKeyBXWBJPGGXORVPO-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
4-[4-(aminomethyl)phenoxy]-N,N-diethylbutan-1-amine
CID 21465327
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809
1-(5-bromopentoxy)-4-tert-butylbenzene
CID 5186697
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
CID 138678165
N,N-diethyl-4-naphthalen-2-yloxybutan-1-amine
CID 5333118
4-(4-tert-butylphenoxy)-N-methylbutan-1-amine
CID 62454221
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine?
The IUPAC name of 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine (CID 2058010) is 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine is CCN(CC)CCCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine?
The InChIKey is BXWBJPGGXORVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-19(7-2)14-8-9-15-20-17-12-10-16(11-13-17)18(3,4)5/h10-13H,6-9,14-15H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine?
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine is sourced from PubChem (CID 2058010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).