N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline

C19H25NO — CID 43769045

IUPACN-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-7-16-10-12-18(13-11-16)20-14-17-8-5-6-9-19(17)21-15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3
InChIKeySOBUTCAWVSKNHI-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.04
Rot. Bonds7

About N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline

N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline (PubChem CID 43769045) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
PubChem CID43769045
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(NCc2ccccc2OC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-4-7-16-10-12-18(13-11-16)20-14-17-8-5-6-9-19(17)21-15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3
InChIKeySOBUTCAWVSKNHI-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
4-propan-2-yloxy-N-[(2-propoxyphenyl)methyl]aniline
CID 39422587
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
N-[(2-methoxyphenyl)methyl]-4-pentylaniline
CID 28510048
N-[(2-hexoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799867
4-ethyl-N-[[2-(2-methylpropoxy)phenyl]methyl]aniline
CID 39384019
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43768953
3-bromo-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 104776000
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
CID 78977002
1-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]pyrazol-4-amine
CID 62903365
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline?
The IUPAC name of N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline (CID 43769045) is N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline.
What is the SMILES notation for N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline?
The canonical SMILES for N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline is CCCc1ccc(NCc2ccccc2OC(C)C)cc1.
What is the InChIKey of N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline?
The InChIKey is SOBUTCAWVSKNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-7-16-10-12-18(13-11-16)20-14-17-8-5-6-9-19(17)21-15(2)3/h5-6,8-13,15,20H,4,7,14H2,1-3H3.
What are the key properties of N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline?
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline has a molecular weight of 283.42 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 43769045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).