2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine

C27H42N2O2 — CID 10274079

IUPAC2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(C(C)(C)c2ccc(OC(C)CN(C)C)c(C)c2)ccc1OC(C)CN(C)C
InChIInChI=1S/C27H42N2O2/c1-19-15-23(11-13-25(19)30-21(3)17-28(7)8)27(5,6)24-12-14-26(20(2)16-24)31-22(4)18-29(9)10/h11-16,21-22H,17-18H2,1-10H3
InChIKeyBGZNFSOIHFHJSP-UHFFFAOYSA-N
MW426.65 g/mol
LogP5.29
Rot. Bonds10

About 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine

2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 10274079) has the molecular formula C27H42N2O2 and a molecular weight of 426.65 g/mol. Its IUPAC name is 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
PubChem CID10274079
Molecular FormulaC27H42N2O2
Molecular Weight426.65 g/mol
Exact Mass426.32
IUPAC Name2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
SMILESCc1cc(C(C)(C)c2ccc(OC(C)CN(C)C)c(C)c2)ccc1OC(C)CN(C)C
InChIInChI=1S/C27H42N2O2/c1-19-15-23(11-13-25(19)30-21(3)17-28(7)8)27(5,6)24-12-14-26(20(2)16-24)31-22(4)18-29(9)10/h11-16,21-22H,17-18H2,1-10H3
InChIKeyBGZNFSOIHFHJSP-UHFFFAOYSA-N
XLogP5.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.65
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butyl-2-methylphenoxy)butanimidamide
CID 114997400
4-[2-[4-(2-hydroxypropoxy)-3-methylphenyl]propan-2-yl]-2-methylphenol
CID 146177386
(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
CID 94156951
1-[2-methyl-4-[2-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 134424160
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
2-(2,4-dimethylphenoxy)propan-1-ol
CID 82075061
1-butan-2-yloxy-2,4-dimethylbenzene;ethane
CID 142890016
1-butan-2-yloxy-2-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 71021796
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
2-[4-[2-[4-(carboxylatomethoxy)-3-methylphenyl]propan-2-yl]-2-methylphenoxy]acetate
CID 4228987
[4-[2-(4-carbonobromidoyloxy-3-methylphenyl)propan-2-yl]-2-methylphenyl] carbonobromidate
CID 139838811
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine (CID 10274079) is 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine is Cc1cc(C(C)(C)c2ccc(OC(C)CN(C)C)c(C)c2)ccc1OC(C)CN(C)C.
What is the InChIKey of 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is BGZNFSOIHFHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O2/c1-19-15-23(11-13-25(19)30-21(3)17-28(7)8)27(5,6)24-12-14-26(20(2)16-24)31-22(4)18-29(9)10/h11-16,21-22H,17-18H2,1-10H3.
What are the key properties of 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?
2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 426.65 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[1-(dimethylamino)propan-2-yloxy]-3-methylphenyl]propan-2-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 10274079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).