N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 63056628

IUPACN-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)COc1cc(OC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-13(2)12-20-16-10-15(19-6)9-8-14(16)11-18-17(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyQXZHBEPRYVLRNA-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.01
Rot. Bonds7

About N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63056628) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63056628
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC(C)COc1cc(OC)ccc1CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-7-13(2)12-20-16-10-15(19-6)9-8-14(16)11-18-17(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyQXZHBEPRYVLRNA-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63485491
N-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
N-[[4-methoxy-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63058315
N-[[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056447
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
N-[[2-(2,2-difluoroethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062836
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
(1R)-1-[4-methoxy-2-(2-methylbutoxy)phenyl]ethanamine
CID 82000674
5-methoxy-2-(2-methylbutoxy)aniline
CID 62103254
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63056628) is N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is CCC(C)COc1cc(OC)ccc1CNC(C)(C)C.
What is the InChIKey of N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QXZHBEPRYVLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-13(2)12-20-16-10-15(19-6)9-8-14(16)11-18-17(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3.
What are the key properties of N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63056628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).