3-(2-ethoxyphenyl)-2-methylpentan-3-amine

C14H23NO — CID 62802052

IUPAC3-(2-ethoxyphenyl)-2-methylpentan-3-amine
SMILESCCOc1ccccc1C(N)(CC)C(C)C
InChIInChI=1S/C14H23NO/c1-5-14(15,11(3)4)12-9-7-8-10-13(12)16-6-2/h7-11H,5-6,15H2,1-4H3
InChIKeyDHXWYQJHMXKBOT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.31
Rot. Bonds5

About 3-(2-ethoxyphenyl)-2-methylpentan-3-amine

3-(2-ethoxyphenyl)-2-methylpentan-3-amine (PubChem CID 62802052) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-methylpentan-3-amine
PubChem CID62802052
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-ethoxyphenyl)-2-methylpentan-3-amine
SMILESCCOc1ccccc1C(N)(CC)C(C)C
InChIInChI=1S/C14H23NO/c1-5-14(15,11(3)4)12-9-7-8-10-13(12)16-6-2/h7-11H,5-6,15H2,1-4H3
InChIKeyDHXWYQJHMXKBOT-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
1-(2-ethoxyphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115940781
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-methylpentan-3-amine?
The IUPAC name of 3-(2-ethoxyphenyl)-2-methylpentan-3-amine (CID 62802052) is 3-(2-ethoxyphenyl)-2-methylpentan-3-amine.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-methylpentan-3-amine?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-methylpentan-3-amine is CCOc1ccccc1C(N)(CC)C(C)C.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-methylpentan-3-amine?
The InChIKey is DHXWYQJHMXKBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(15,11(3)4)12-9-7-8-10-13(12)16-6-2/h7-11H,5-6,15H2,1-4H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-methylpentan-3-amine?
3-(2-ethoxyphenyl)-2-methylpentan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-methylpentan-3-amine is sourced from PubChem (CID 62802052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).