1-[4-(hexan-2-ylamino)phenyl]propan-1-one

C15H23NO — CID 114066677

IUPAC1-[4-(hexan-2-ylamino)phenyl]propan-1-one
SMILESCCCCC(C)Nc1ccc(C(=O)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-6-7-12(3)16-14-10-8-13(9-11-14)15(17)5-2/h8-12,16H,4-7H2,1-3H3
InChIKeyYOHDRQMDFNJQJA-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.27
Rot. Bonds7

About 1-[4-(hexan-2-ylamino)phenyl]propan-1-one

1-[4-(hexan-2-ylamino)phenyl]propan-1-one (PubChem CID 114066677) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[4-(hexan-2-ylamino)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(hexan-2-ylamino)phenyl]propan-1-one
PubChem CID114066677
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[4-(hexan-2-ylamino)phenyl]propan-1-one
SMILESCCCCC(C)Nc1ccc(C(=O)CC)cc1
InChIInChI=1S/C15H23NO/c1-4-6-7-12(3)16-14-10-8-13(9-11-14)15(17)5-2/h8-12,16H,4-7H2,1-3H3
InChIKeyYOHDRQMDFNJQJA-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(hexan-2-ylamino)phenyl]ethanone
CID 114468208
4-(hexan-2-ylamino)benzamide
CID 43760421
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
1-[4-(1-ethoxypropan-2-ylamino)phenyl]propan-1-one
CID 114066673
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
4-(pentan-2-ylamino)benzamide
CID 43193030
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445
N-hexan-2-yl-4-(trifluoromethylsulfonyl)aniline
CID 63541039
N-hexan-2-yl-4-[[4-(hexan-2-ylamino)phenoxy]methoxy]aniline
CID 161243666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hexan-2-ylamino)phenyl]propan-1-one?
The IUPAC name of 1-[4-(hexan-2-ylamino)phenyl]propan-1-one (CID 114066677) is 1-[4-(hexan-2-ylamino)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(hexan-2-ylamino)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(hexan-2-ylamino)phenyl]propan-1-one is CCCCC(C)Nc1ccc(C(=O)CC)cc1.
What is the InChIKey of 1-[4-(hexan-2-ylamino)phenyl]propan-1-one?
The InChIKey is YOHDRQMDFNJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-7-12(3)16-14-10-8-13(9-11-14)15(17)5-2/h8-12,16H,4-7H2,1-3H3.
What are the key properties of 1-[4-(hexan-2-ylamino)phenyl]propan-1-one?
1-[4-(hexan-2-ylamino)phenyl]propan-1-one has a molecular weight of 233.35 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hexan-2-ylamino)phenyl]propan-1-one is sourced from PubChem (CID 114066677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).