N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline

C18H23NO2 — CID 29030576

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-5-14-6-8-16(9-7-14)19-13-15-10-17(20-2)12-18(11-15)21-3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyOTPPBALIFNQGMP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.27
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline

N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline (PubChem CID 29030576) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
PubChem CID29030576
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-5-14-6-8-16(9-7-14)19-13-15-10-17(20-2)12-18(11-15)21-3/h6-12,19H,4-5,13H2,1-3H3
InChIKeyOTPPBALIFNQGMP-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
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
N-[(3-bromo-5-fluorophenyl)methyl]-4-propylaniline
CID 79710238
ethane;1-methoxy-4-propylbenzene
CID 142085762
N-[(3-fluorophenyl)methyl]-4-propylaniline
CID 29045443
N-[[3-(aminomethyl)phenyl]methyl]-4-propylaniline
CID 115212901
2-[4-[(4-propylanilino)methyl]phenoxy]acetonitrile
CID 43769041

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline (CID 29030576) is N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline?
The InChIKey is OTPPBALIFNQGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-5-14-6-8-16(9-7-14)19-13-15-10-17(20-2)12-18(11-15)21-3/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline?
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline has a molecular weight of 285.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 29030576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).