N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline

C20H27NO2 — CID 54802906

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
SMILESCC(C)COc1ccc(CNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C20H27NO2/c1-15(2)14-22-19-10-8-17(9-11-19)13-21-18-6-5-7-20(12-18)23-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3
InChIKeyIAAZPNZNIXAVCM-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.12
Rot. Bonds8

About N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline

N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline (PubChem CID 54802906) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
PubChem CID54802906
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline
SMILESCC(C)COc1ccc(CNc2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C20H27NO2/c1-15(2)14-22-19-10-8-17(9-11-19)13-21-18-6-5-7-20(12-18)23-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3
InChIKeyIAAZPNZNIXAVCM-UHFFFAOYSA-N
XLogP5.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
N'-[3-(2-methylpropoxy)phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54808556
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801275
N-[(4-chlorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 54800055
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
3-fluoro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 39360354
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-phenylmethoxyaniline
CID 54801649
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)aniline
CID 63449936
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720531
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline (CID 54802906) is N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline is CC(C)COc1ccc(CNc2cccc(OC(C)C)c2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline?
The InChIKey is IAAZPNZNIXAVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-15(2)14-22-19-10-8-17(9-11-19)13-21-18-6-5-7-20(12-18)23-16(3)4/h5-12,15-16,21H,13-14H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline?
N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline has a molecular weight of 313.44 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]-3-propan-2-yloxyaniline is sourced from PubChem (CID 54802906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).