N-[dimethoxy(phenyl)methyl]propan-1-amine

C12H19NO2 — CID 57151893

IUPACN-[dimethoxy(phenyl)methyl]propan-1-amine
SMILESCCCNC(OC)(OC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-4-10-13-12(14-2,15-3)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3
InChIKeyBJYNYBSAOOTLNW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.09
Rot. Bonds6

About N-[dimethoxy(phenyl)methyl]propan-1-amine

N-[dimethoxy(phenyl)methyl]propan-1-amine (PubChem CID 57151893) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[dimethoxy(phenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[dimethoxy(phenyl)methyl]propan-1-amine
PubChem CID57151893
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[dimethoxy(phenyl)methyl]propan-1-amine
SMILESCCCNC(OC)(OC)c1ccccc1
InChIInChI=1S/C12H19NO2/c1-4-10-13-12(14-2,15-3)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3
InChIKeyBJYNYBSAOOTLNW-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[dimethoxy(phenyl)methyl]carbamate
CID 23117021
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
1,1,1-trifluoro-4-methyl-2-phenyl-N-propylpentan-2-amine
CID 66204159
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
CID 80605062
(1,1-dimethoxy-2-octyldodecyl)benzene
CID 150569123
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
N-(1,1-diphenylethyl)pentan-1-amine
CID 67665508
2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine
CID 80604708
1-methoxy-1-phenylpropan-1-amine
CID 67818212
2-(2-methoxyethylamino)-2-phenylpentanamide
CID 55084877

Frequently Asked Questions

What is the IUPAC name of N-[dimethoxy(phenyl)methyl]propan-1-amine?
The IUPAC name of N-[dimethoxy(phenyl)methyl]propan-1-amine (CID 57151893) is N-[dimethoxy(phenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[dimethoxy(phenyl)methyl]propan-1-amine?
The canonical SMILES for N-[dimethoxy(phenyl)methyl]propan-1-amine is CCCNC(OC)(OC)c1ccccc1.
What is the InChIKey of N-[dimethoxy(phenyl)methyl]propan-1-amine?
The InChIKey is BJYNYBSAOOTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10-13-12(14-2,15-3)11-8-6-5-7-9-11/h5-9,13H,4,10H2,1-3H3.
What are the key properties of N-[dimethoxy(phenyl)methyl]propan-1-amine?
N-[dimethoxy(phenyl)methyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethoxy(phenyl)methyl]propan-1-amine is sourced from PubChem (CID 57151893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).