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

C18H31NO2 — CID 63485491

IUPACN-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)COc1cc(OC)ccc1CNC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-7-8-14(2)13-21-17-11-16(20-6)10-9-15(17)12-19-18(3,4)5/h9-11,14,19H,7-8,12-13H2,1-6H3
InChIKeyZYXMGQBPMDGXFM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.40
Rot. Bonds8

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

N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63485491) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63485491
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)COc1cc(OC)ccc1CNC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-7-8-14(2)13-21-17-11-16(20-6)10-9-15(17)12-19-18(3,4)5/h9-11,14,19H,7-8,12-13H2,1-6H3
InChIKeyZYXMGQBPMDGXFM-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-methoxy-2-(2-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056628
1-[4-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 62266259
2-[2-[(tert-butylamino)methyl]-5-methoxyphenoxy]acetonitrile
CID 63056618
N-[[5-chloro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63487208
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-[[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 55148561
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 81107025
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63056468
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-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63485491) is N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine is CCCC(C)COc1cc(OC)ccc1CNC(C)(C)C.
What is the InChIKey of N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZYXMGQBPMDGXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-7-8-14(2)13-21-17-11-16(20-6)10-9-15(17)12-19-18(3,4)5/h9-11,14,19H,7-8,12-13H2,1-6H3.
What are the key properties of N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-methoxy-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.40, 8 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-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).