N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine

C19H25NO3 — CID 119110830

IUPACN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(OC)c(OC)cc1-c1ccccc1
InChIInChI=1S/C19H25NO3/c1-21-11-7-10-20-14-16-12-18(22-2)19(23-3)13-17(16)15-8-5-4-6-9-15/h4-6,8-9,12-13,20H,7,10-11,14H2,1-3H3
InChIKeyNGCRIKPFTZMSDU-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.50
Rot. Bonds9

About N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine

N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine (PubChem CID 119110830) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
PubChem CID119110830
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc(OC)c(OC)cc1-c1ccccc1
InChIInChI=1S/C19H25NO3/c1-21-11-7-10-20-14-16-12-18(22-2)19(23-3)13-17(16)15-8-5-4-6-9-15/h4-6,8-9,12-13,20H,7,10-11,14H2,1-3H3
InChIKeyNGCRIKPFTZMSDU-UHFFFAOYSA-N
XLogP3.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.50
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

2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 119110843
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127608
1-(4,5-dimethoxy-2-phenylphenyl)-N,N-dimethylmethanamine
CID 162400127
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
CID 61033866
2-methoxy-N-[[2-(2-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63071959

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine (CID 119110830) is N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine is COCCCNCc1cc(OC)c(OC)cc1-c1ccccc1.
What is the InChIKey of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is NGCRIKPFTZMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-21-11-7-10-20-14-16-12-18(22-2)19(23-3)13-17(16)15-8-5-4-6-9-15/h4-6,8-9,12-13,20H,7,10-11,14H2,1-3H3.
What are the key properties of N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine?
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 119110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).