4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine

C18H31NO — CID 2298137

IUPAC4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
SMILESCC[C@@H](C)c1ccccc1OCCCCN(CC)CC
InChIInChI=1S/C18H31NO/c1-5-16(4)17-12-8-9-13-18(17)20-15-11-10-14-19(6-2)7-3/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3/t16-/m1/s1
InChIKeyAOZBSTVIVYZVMQ-MRXNPFEDSA-N
MW277.45 g/mol
LogP4.70
Rot. Bonds10

About 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine

4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine (PubChem CID 2298137) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
PubChem CID2298137
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine
SMILESCC[C@@H](C)c1ccccc1OCCCCN(CC)CC
InChIInChI=1S/C18H31NO/c1-5-16(4)17-12-8-9-13-18(17)20-15-11-10-14-19(6-2)7-3/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3/t16-/m1/s1
InChIKeyAOZBSTVIVYZVMQ-MRXNPFEDSA-N
XLogP4.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.70
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

N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
N,N-diethyl-5-(2-methylphenoxy)pentan-1-amine
CID 2058755
1-[4-[2-[(2R)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194726
1-[4-[2-[(2S)-butan-2-yl]phenoxy]butyl]azepan-1-ium
CID 2194728
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
6-(2-chlorophenoxy)-N,N-diethylhexan-1-amine
CID 2232650
N-[3-(2-butan-2-ylphenoxy)propyl]butan-1-amine
CID 2923717
N-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]butan-1-amine
CID 2299738
5-(2-butan-2-ylphenoxy)-N-tert-butylpentan-1-amine
CID 63498593
1-[2-[2-(diethylamino)ethoxy]phenyl]-N-methylpropan-1-amine
CID 43279062

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine?
The IUPAC name of 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine (CID 2298137) is 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine is CC[C@@H](C)c1ccccc1OCCCCN(CC)CC.
What is the InChIKey of 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine?
The InChIKey is AOZBSTVIVYZVMQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-16(4)17-12-8-9-13-18(17)20-15-11-10-14-19(6-2)7-3/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3/t16-/m1/s1.
What are the key properties of 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine?
4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-butan-2-yl]phenoxy]-N,N-diethylbutan-1-amine is sourced from PubChem (CID 2298137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).