2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

C18H31NO — CID 116725223

IUPAC2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(C(N)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17H,7,11,19H2,1-6H3
InChIKeyUUBVJQCVLJEICT-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.34
Rot. Bonds6

About 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine

2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (PubChem CID 116725223) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
PubChem CID116725223
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
SMILESCCOC(C(N)c1cccc(CC(C)C)c1)C(C)(C)C
InChIInChI=1S/C18H31NO/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17H,7,11,19H2,1-6H3
InChIKeyUUBVJQCVLJEICT-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116720818
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
2,2-diethoxy-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116543713
2-methoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713134
2-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050722
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 112705581
1-(3,4-dimethoxyphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725272
2-methoxy-N,3,3-trimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116724427
2,2-diethoxy-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544752
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine (CID 116725223) is 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is CCOC(C(N)c1cccc(CC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
The InChIKey is UUBVJQCVLJEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-20-17(18(4,5)6)16(19)15-10-8-9-14(12-15)11-13(2)3/h8-10,12-13,16-17H,7,11,19H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine?
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine is sourced from PubChem (CID 116725223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).