4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline

C19H25NO — CID 103463690

IUPAC4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
SMILESCCC(C)c1ccc(NC(COC)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-4-15(2)16-10-12-18(13-11-16)20-19(14-21-3)17-8-6-5-7-9-17/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyDQUFOTRQMPRNJX-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.00
Rot. Bonds7

About 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline

4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline (PubChem CID 103463690) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline.

Molecular Properties

Compound Name4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
PubChem CID103463690
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline
SMILESCCC(C)c1ccc(NC(COC)c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-4-15(2)16-10-12-18(13-11-16)20-19(14-21-3)17-8-6-5-7-9-17/h5-13,15,19-20H,4,14H2,1-3H3
InChIKeyDQUFOTRQMPRNJX-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463648
3-bromo-N-(2-methoxy-1-phenylethyl)-4-methylaniline
CID 103464261
3-chloro-4-ethoxy-N-(2-methoxy-1-phenylethyl)aniline
CID 103464030
4-butan-2-yl-N-(2-methylpentan-3-yl)aniline
CID 43780446
3-bromo-N-(2-methoxy-1-phenylethyl)aniline
CID 103463420
3-bromo-4-fluoro-N-(2-methoxy-1-phenylethyl)aniline
CID 103464654
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
5-[(2-methoxy-1-phenylethyl)amino]pyridine-2-carbonitrile
CID 86781901
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
N-[1-(2-bromophenyl)ethyl]-4-butan-2-ylaniline
CID 43681132
4-(1-phenylpropylamino)phenol
CID 43742837
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline?
The IUPAC name of 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline (CID 103463690) is 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline.
What is the SMILES notation for 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline?
The canonical SMILES for 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline is CCC(C)c1ccc(NC(COC)c2ccccc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline?
The InChIKey is DQUFOTRQMPRNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15(2)16-10-12-18(13-11-16)20-19(14-21-3)17-8-6-5-7-9-17/h5-13,15,19-20H,4,14H2,1-3H3.
What are the key properties of 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline?
4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline has a molecular weight of 283.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(2-methoxy-1-phenylethyl)aniline is sourced from PubChem (CID 103463690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).