3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline

C20H27NO2 — CID 154621282

IUPAC3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)N(Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C20H27NO2/c1-5-7-16(2)21(18-8-6-9-20(14-18)23-4)15-17-10-12-19(22-3)13-11-17/h6,8-14,16H,5,7,15H2,1-4H3
InChIKeyJIKHUQYBTOWRPQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.90
Rot. Bonds8

About 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline

3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline (PubChem CID 154621282) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline.

Molecular Properties

Compound Name3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
PubChem CID154621282
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
SMILESCCCC(C)N(Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C20H27NO2/c1-5-7-16(2)21(18-8-6-9-20(14-18)23-4)15-17-10-12-19(22-3)13-11-17/h6,8-14,16H,5,7,15H2,1-4H3
InChIKeyJIKHUQYBTOWRPQ-UHFFFAOYSA-N
XLogP4.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(4-nitrophenyl)methyl]-N-pentan-2-ylaniline
CID 154621296
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
N-butan-2-yl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 154621202
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
1-(N-ethyl-3-methoxyanilino)ethyl 4-methoxybenzoate
CID 70632912
N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpentan-2-amine
CID 138519029
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120
N-ethyl-3-methoxy-N-[1-(3-methylphenoxy)ethyl]aniline
CID 70632747
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43136389
N-ethyl-3-methoxy-N-methylaniline
CID 67357774

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline?
The IUPAC name of 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline (CID 154621282) is 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline.
What is the SMILES notation for 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline?
The canonical SMILES for 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline is CCCC(C)N(Cc1ccc(OC)cc1)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline?
The InChIKey is JIKHUQYBTOWRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-7-16(2)21(18-8-6-9-20(14-18)23-4)15-17-10-12-19(22-3)13-11-17/h6,8-14,16H,5,7,15H2,1-4H3.
What are the key properties of 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline?
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline has a molecular weight of 313.44 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline is sourced from PubChem (CID 154621282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).