1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine

C17H29NO2 — CID 62266259

IUPAC1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
SMILESCCCC(C)COc1cc(OC)ccc1CC(N)CC
InChIInChI=1S/C17H29NO2/c1-5-7-13(3)12-20-17-11-16(19-4)9-8-14(17)10-15(18)6-2/h8-9,11,13,15H,5-7,10,12,18H2,1-4H3
InChIKeyPFFUFMMVWAICLP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.79
Rot. Bonds9

About 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine

1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine (PubChem CID 62266259) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
PubChem CID62266259
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
SMILESCCCC(C)COc1cc(OC)ccc1CC(N)CC
InChIInChI=1S/C17H29NO2/c1-5-7-13(3)12-20-17-11-16(19-4)9-8-14(17)10-15(18)6-2/h8-9,11,13,15H,5-7,10,12,18H2,1-4H3
InChIKeyPFFUFMMVWAICLP-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
1-[4-methoxy-2-(2-methylsulfanylethoxy)phenyl]butan-2-amine
CID 113474011
2-methoxy-4-(2-methylpentoxy)aniline
CID 103282930
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
1-(5-methoxy-2-propan-2-yloxyphenyl)butan-2-amine
CID 54930560
1-[4-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 61269681
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine (CID 62266259) is 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine is CCCC(C)COc1cc(OC)ccc1CC(N)CC.
What is the InChIKey of 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine?
The InChIKey is PFFUFMMVWAICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-7-13(3)12-20-17-11-16(19-4)9-8-14(17)10-15(18)6-2/h8-9,11,13,15H,5-7,10,12,18H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine?
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine is sourced from PubChem (CID 62266259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).