N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

C26H31NO2 — CID 17156142

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(OCc2cccc(C)c2)c(OC)c1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-4-9-24(23-12-6-5-7-13-23)27-18-21-14-15-25(26(17-21)28-3)29-19-22-11-8-10-20(2)16-22/h5-8,10-17,24,27H,4,9,18-19H2,1-3H3
InChIKeyXVJTUJYKKMMGIQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP6.21
Rot. Bonds10

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (PubChem CID 17156142) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
PubChem CID17156142
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
SMILESCCCC(NCc1ccc(OCc2cccc(C)c2)c(OC)c1)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-4-9-24(23-12-6-5-7-13-23)27-18-21-14-15-25(26(17-21)28-3)29-19-22-11-8-10-20(2)16-22/h5-8,10-17,24,27H,4,9,18-19H2,1-3H3
InChIKeyXVJTUJYKKMMGIQ-UHFFFAOYSA-N
XLogP6.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17156166
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
(2S)-1-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51560581
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 43278774
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17155842

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine (CID 17156142) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is CCCC(NCc1ccc(OCc2cccc(C)c2)c(OC)c1)c1ccccc1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
The InChIKey is XVJTUJYKKMMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-4-9-24(23-12-6-5-7-13-23)27-18-21-14-15-25(26(17-21)28-3)29-19-22-11-8-10-20(2)16-22/h5-8,10-17,24,27H,4,9,18-19H2,1-3H3.
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine has a molecular weight of 389.54 g/mol, XLogP of 6.21, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 17156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).