1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine

C14H23NO2 — CID 93007101

IUPAC1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1O[C@H](C)CC
InChIInChI=1S/C14H23NO2/c1-5-11(3)17-13-8-7-12(10-15-4)9-14(13)16-6-2/h7-9,11,15H,5-6,10H2,1-4H3/t11-/m1/s1
InChIKeyXPEJPNNLURLDDU-LLVKDONJSA-N
MW237.34 g/mol
LogP2.98
Rot. Bonds7

About 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine

1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine (PubChem CID 93007101) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
PubChem CID93007101
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine
SMILESCCOc1cc(CNC)ccc1O[C@H](C)CC
InChIInChI=1S/C14H23NO2/c1-5-11(3)17-13-8-7-12(10-15-4)9-14(13)16-6-2/h7-9,11,15H,5-6,10H2,1-4H3/t11-/m1/s1
InChIKeyXPEJPNNLURLDDU-LLVKDONJSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butan-2-yloxy-3-ethoxyphenyl)methyl]butan-1-amine
CID 132649786
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-(3-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 17157575
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
1-[3-ethoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylmethanamine
CID 115942171
4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722
1-(4-cyclohexyloxy-3-ethoxyphenyl)-N-methylmethanamine
CID 43278132
4-[2-ethoxy-4-(methylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361669
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine (CID 93007101) is 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine is CCOc1cc(CNC)ccc1O[C@H](C)CC.
What is the InChIKey of 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine?
The InChIKey is XPEJPNNLURLDDU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-11(3)17-13-8-7-12(10-15-4)9-14(13)16-6-2/h7-9,11,15H,5-6,10H2,1-4H3/t11-/m1/s1.
What are the key properties of 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine?
1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-butan-2-yl]oxy-3-ethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 93007101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).