3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

C19H25NO — CID 43768953

IUPAC3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C19H25NO/c1-14(2)16-9-7-10-18(12-16)20-13-17-8-5-6-11-19(17)21-15(3)4/h5-12,14-15,20H,13H2,1-4H3
InChIKeyDQAUVGIIZGWDJV-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.21
Rot. Bonds6

About 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline

3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (PubChem CID 43768953) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
PubChem CID43768953
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
SMILESCC(C)Oc1ccccc1CNc1cccc(C(C)C)c1
InChIInChI=1S/C19H25NO/c1-14(2)16-9-7-10-18(12-16)20-13-17-8-5-6-11-19(17)21-15(3)4/h5-12,14-15,20H,13H2,1-4H3
InChIKeyDQAUVGIIZGWDJV-UHFFFAOYSA-N
XLogP5.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylphenyl)methyl]-3-propan-2-ylaniline
CID 63421353
3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
3-nitro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43785388
3-bromo-4-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 104776000
N-[(2-propan-2-yloxyphenyl)methyl]-4-propylaniline
CID 43769045
1-[3-[(2-methoxyphenyl)methylamino]phenyl]propan-1-ol
CID 174622940
3-chloro-N-[(2-ethylphenyl)methyl]-4-propan-2-yloxyaniline
CID 63445695
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2,3-dichloro-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39447537
2,6-dibromo-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 43773543

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The IUPAC name of 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline (CID 43768953) is 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline.
What is the SMILES notation for 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The canonical SMILES for 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is CC(C)Oc1ccccc1CNc1cccc(C(C)C)c1.
What is the InChIKey of 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
The InChIKey is DQAUVGIIZGWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)16-9-7-10-18(12-16)20-13-17-8-5-6-11-19(17)21-15(3)4/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline?
3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline has a molecular weight of 283.42 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(2-propan-2-yloxyphenyl)methyl]aniline is sourced from PubChem (CID 43768953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).