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

C21H29NO3 — CID 166242699

IUPAC3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
SMILESCOCC(CCNC(C)c1ccc(-c2ccccc2OC)cc1)OC
InChIInChI=1S/C21H29NO3/c1-16(22-14-13-19(24-3)15-23-2)17-9-11-18(12-10-17)20-7-5-6-8-21(20)25-4/h5-12,16,19,22H,13-15H2,1-4H3
InChIKeyMMANGPTWUNHRHG-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.06
Rot. Bonds10

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

3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine (PubChem CID 166242699) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
PubChem CID166242699
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine
SMILESCOCC(CCNC(C)c1ccc(-c2ccccc2OC)cc1)OC
InChIInChI=1S/C21H29NO3/c1-16(22-14-13-19(24-3)15-23-2)17-9-11-18(12-10-17)20-7-5-6-8-21(20)25-4/h5-12,16,19,22H,13-15H2,1-4H3
InChIKeyMMANGPTWUNHRHG-UHFFFAOYSA-N
XLogP4.06
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-(4-methylphenoxy)propan-1-amine
CID 166384960
N-[2-(4-bromophenoxy)ethyl]-1-[4-(2-methoxyphenyl)phenyl]ethanamine
CID 166385004
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-3-methyl-3-methylsulfonylbutan-1-amine
CID 166237258
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-pyridin-4-ylpropane-1,3-diamine
CID 166385022
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
2-amino-1-[4-(2-methoxyphenyl)phenyl]ethanol
CID 82293708
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
N-[1-[2-chloro-4-(2-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 82771994
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119802421

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine?
The IUPAC name of 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine (CID 166242699) is 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine.
What is the SMILES notation for 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine?
The canonical SMILES for 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine is COCC(CCNC(C)c1ccc(-c2ccccc2OC)cc1)OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine?
The InChIKey is MMANGPTWUNHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-16(22-14-13-19(24-3)15-23-2)17-9-11-18(12-10-17)20-7-5-6-8-21(20)25-4/h5-12,16,19,22H,13-15H2,1-4H3.
What are the key properties of 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine?
3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]butan-1-amine is sourced from PubChem (CID 166242699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).