N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine

C25H37NO3 — CID 23043997

IUPACN-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccc(OC)c(OC)c1CCc1cccc(OC)c1
InChIInChI=1S/C25H37NO3/c1-6-16-26(17-7-2)18-15-21-12-14-24(28-4)25(29-5)23(21)13-11-20-9-8-10-22(19-20)27-3/h8-10,12,14,19H,6-7,11,13,15-18H2,1-5H3
InChIKeyMLWRJIVPMRYCBU-UHFFFAOYSA-N
MW399.58 g/mol
LogP5.16
Rot. Bonds13

About N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine

N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine (PubChem CID 23043997) has the molecular formula C25H37NO3 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine
PubChem CID23043997
Molecular FormulaC25H37NO3
Molecular Weight399.58 g/mol
Exact Mass399.28
IUPAC NameN-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CCc1ccc(OC)c(OC)c1CCc1cccc(OC)c1
InChIInChI=1S/C25H37NO3/c1-6-16-26(17-7-2)18-15-21-12-14-24(28-4)25(29-5)23(21)13-11-20-9-8-10-22(19-20)27-3/h8-10,12,14,19H,6-7,11,13,15-18H2,1-5H3
InChIKeyMLWRJIVPMRYCBU-UHFFFAOYSA-N
XLogP5.16
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-[2-(3-methoxyphenyl)ethyl]hexane-1,6-diamine
CID 23044051
N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-(2-phenylethyl)hexane-1,6-diamine;hydrochloride
CID 44523550
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
N-(2-bromoethyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 80679564
1-methoxy-3-propylbenzene
CID 14270128
N-(2-cyclohexylethyl)-N'-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]hexanediamide
CID 57235543
1,2-dimethoxy-3-[4-(3-methoxyphenyl)butyl]benzene;methanol
CID 70089547
[3,4-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]methanol
CID 23043876
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine?
The IUPAC name of N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine (CID 23043997) is N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine is CCCN(CCC)CCc1ccc(OC)c(OC)c1CCc1cccc(OC)c1.
What is the InChIKey of N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine?
The InChIKey is MLWRJIVPMRYCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3/c1-6-16-26(17-7-2)18-15-21-12-14-24(28-4)25(29-5)23(21)13-11-20-9-8-10-22(19-20)27-3/h8-10,12,14,19H,6-7,11,13,15-18H2,1-5H3.
What are the key properties of N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine?
N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine has a molecular weight of 399.58 g/mol, XLogP of 5.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-dimethoxy-2-[2-(3-methoxyphenyl)ethyl]phenyl]ethyl]-N-propylpropan-1-amine is sourced from PubChem (CID 23043997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).