N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine

C15H25NO2 — CID 39355527

IUPACN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)9-16-10-13-7-6-8-14(17-5)15(13)18-12(3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyGERVKWUUBZISSD-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds7

About N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 39355527) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID39355527
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCOc1cccc(CNCC(C)C)c1OC(C)C
InChIInChI=1S/C15H25NO2/c1-11(2)9-16-10-13-7-6-8-14(17-5)15(13)18-12(3)4/h6-8,11-12,16H,9-10H2,1-5H3
InChIKeyGERVKWUUBZISSD-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 39422668
2-[2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057775
N-[[2-(ethoxymethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 65369404
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291272
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
N-[(2-but-3-ynoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63056606
N-[[2-(3-chloroprop-2-enoxy)-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 76983212
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxypropan-1-amine
CID 102696375
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine (CID 39355527) is N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine is COc1cccc(CNCC(C)C)c1OC(C)C.
What is the InChIKey of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is GERVKWUUBZISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-11(2)9-16-10-13-7-6-8-14(17-5)15(13)18-12(3)4/h6-8,11-12,16H,9-10H2,1-5H3.
What are the key properties of N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 39355527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).