N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine

C13H21NO3 — CID 28674357

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-6-4-5-14-10-11-7-12(16-2)9-13(8-11)17-3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyPCYKTVJUWRRCJA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.83
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine

N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 28674357) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
PubChem CID28674357
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(OC)cc(OC)c1
InChIInChI=1S/C13H21NO3/c1-15-6-4-5-14-10-11-7-12(16-2)9-13(8-11)17-3/h7-9,14H,4-6,10H2,1-3H3
InChIKeyPCYKTVJUWRRCJA-UHFFFAOYSA-N
XLogP1.83
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
CID 82939930
N'-tert-butyl-N-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 115572730
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
5-[(3,5-dimethoxyphenyl)methylamino]-2-methylpentan-1-ol
CID 103859647
(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115628979
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
4-[(3,5-dimethoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126734
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28832043
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine (CID 28674357) is N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine is COCCCNCc1cc(OC)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is PCYKTVJUWRRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-15-6-4-5-14-10-11-7-12(16-2)9-13(8-11)17-3/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine?
N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 28674357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).