N-[(2-methoxyphenyl)methyl]-4-propylaniline

C17H21NO — CID 29045646

IUPACN-[(2-methoxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C17H21NO/c1-3-6-14-9-11-16(12-10-14)18-13-15-7-4-5-8-17(15)19-2/h4-5,7-12,18H,3,6,13H2,1-2H3
InChIKeyUXRIHCQVOQUAQY-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.26
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-propylaniline

N-[(2-methoxyphenyl)methyl]-4-propylaniline (PubChem CID 29045646) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-propylaniline
PubChem CID29045646
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccccc2OC)cc1
InChIInChI=1S/C17H21NO/c1-3-6-14-9-11-16(12-10-14)18-13-15-7-4-5-8-17(15)19-2/h4-5,7-12,18H,3,6,13H2,1-2H3
InChIKeyUXRIHCQVOQUAQY-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
N-[(2-methoxy-5-nitrophenyl)methyl]-4-propylaniline
CID 112798558
2-(4-fluorophenyl)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982646
2-ethyl-N-[4-[(2-methoxyphenyl)methylamino]phenyl]butanamide
CID 112982626
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
N-[(2-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)aniline
CID 110452175
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
N-[(3,5-dimethoxyphenyl)methyl]-4-propylaniline
CID 29030576
N-[(5-fluoro-2-methylphenyl)methyl]-4-propylaniline
CID 105370804

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-propylaniline (CID 29045646) is N-[(2-methoxyphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2ccccc2OC)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-propylaniline?
The InChIKey is UXRIHCQVOQUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-6-14-9-11-16(12-10-14)18-13-15-7-4-5-8-17(15)19-2/h4-5,7-12,18H,3,6,13H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-propylaniline?
N-[(2-methoxyphenyl)methyl]-4-propylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 29045646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).