1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine

C21H29NO2 — CID 82184828

IUPAC1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine
SMILESCOc1ccccc1OCc1cccc(CCC(N)C(C)(C)C)c1
InChIInChI=1S/C21H29NO2/c1-21(2,3)20(22)13-12-16-8-7-9-17(14-16)15-24-19-11-6-5-10-18(19)23-4/h5-11,14,20H,12-13,15,22H2,1-4H3
InChIKeyHFBMUYPSQDARAX-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.58
Rot. Bonds7

About 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine

1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine (PubChem CID 82184828) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine
PubChem CID82184828
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine
SMILESCOc1ccccc1OCc1cccc(CCC(N)C(C)(C)C)c1
InChIInChI=1S/C21H29NO2/c1-21(2,3)20(22)13-12-16-8-7-9-17(14-16)15-24-19-11-6-5-10-18(19)23-4/h5-11,14,20H,12-13,15,22H2,1-4H3
InChIKeyHFBMUYPSQDARAX-UHFFFAOYSA-N
XLogP4.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
3-[(2-methoxyphenoxy)methyl]benzoic acid
CID 890775
4-(3-methoxy-4-phenylmethoxyphenyl)-2-methylbutanamide
CID 68669823
2-[[3-[(2-methoxyphenoxy)methyl]phenyl]methyl]cyclohexan-1-amine
CID 82185949
(2R)-4-methoxy-1-(4-methoxy-3-phenylmethoxyphenyl)-3,3-dimethylbutan-2-amine
CID 125466336
1,2-dimethoxy-4-[[2-(2-phenylethyl)phenoxy]methyl]benzene
CID 24807987
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
4-[(2-methoxyphenoxy)methyl]-2-(trifluoromethyl)aniline
CID 117220166
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine (CID 82184828) is 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine is COc1ccccc1OCc1cccc(CCC(N)C(C)(C)C)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine?
The InChIKey is HFBMUYPSQDARAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-21(2,3)20(22)13-12-16-8-7-9-17(14-16)15-24-19-11-6-5-10-18(19)23-4/h5-11,14,20H,12-13,15,22H2,1-4H3.
What are the key properties of 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine?
1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine has a molecular weight of 327.47 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenoxy)methyl]phenyl]-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 82184828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).