N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

C17H29NO2 — CID 107890983

IUPACN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H29NO2/c1-7-8-13(2)20-15-10-9-14(11-16(15)19-6)12-18-17(3,4)5/h9-11,13,18H,7-8,12H2,1-6H3
InChIKeyUEULKLKGZBCWTJ-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.15
Rot. Bonds7

About N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine

N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 107890983) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID107890983
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Oc1ccc(CNC(C)(C)C)cc1OC
InChIInChI=1S/C17H29NO2/c1-7-8-13(2)20-15-10-9-14(11-16(15)19-6)12-18-17(3,4)5/h9-11,13,18H,7-8,12H2,1-6H3
InChIKeyUEULKLKGZBCWTJ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylpropanamide
CID 63057094
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
1-[5-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 63055789
1-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 115608160
N-[(3,4-dimethoxyphenyl)methyl]-2-methylpentan-2-amine
CID 113234422
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
CID 19868328

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine (CID 107890983) is N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is CCCC(C)Oc1ccc(CNC(C)(C)C)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is UEULKLKGZBCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-7-8-13(2)20-15-10-9-14(11-16(15)19-6)12-18-17(3,4)5/h9-11,13,18H,7-8,12H2,1-6H3.
What are the key properties of N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107890983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).