1-[4-(hexan-2-ylamino)phenyl]ethanone

C14H21NO — CID 114468208

IUPAC1-[4-(hexan-2-ylamino)phenyl]ethanone
SMILESCCCCC(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11(2)15-14-9-7-13(8-10-14)12(3)16/h7-11,15H,4-6H2,1-3H3
InChIKeyJHIHINRCCAHZAR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.88
Rot. Bonds6

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

1-[4-(hexan-2-ylamino)phenyl]ethanone (PubChem CID 114468208) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[4-(hexan-2-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(hexan-2-ylamino)phenyl]ethanone
PubChem CID114468208
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[4-(hexan-2-ylamino)phenyl]ethanone
SMILESCCCCC(C)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11(2)15-14-9-7-13(8-10-14)12(3)16/h7-11,15H,4-6H2,1-3H3
InChIKeyJHIHINRCCAHZAR-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hexan-2-ylamino)benzamide
CID 43760421
1-[4-(hexan-2-ylamino)phenyl]propan-1-one
CID 114066677
4-(hexan-2-ylamino)-N-methylbenzamide
CID 43781053
N-ethyl-4-(heptan-2-ylamino)benzamide
CID 43728460
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361
N-hexan-2-yl-4-propan-2-ylaniline
CID 43760569
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
4-(pentan-2-ylamino)benzamide
CID 43193030
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
4-butan-2-yl-N-hexan-2-ylaniline
CID 43780445

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hexan-2-ylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(hexan-2-ylamino)phenyl]ethanone (CID 114468208) is 1-[4-(hexan-2-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(hexan-2-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(hexan-2-ylamino)phenyl]ethanone is CCCCC(C)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(hexan-2-ylamino)phenyl]ethanone?
The InChIKey is JHIHINRCCAHZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-6-11(2)15-14-9-7-13(8-10-14)12(3)16/h7-11,15H,4-6H2,1-3H3.
What are the key properties of 1-[4-(hexan-2-ylamino)phenyl]ethanone?
1-[4-(hexan-2-ylamino)phenyl]ethanone has a molecular weight of 219.33 g/mol, XLogP of 3.88, 6 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]ethanone is sourced from PubChem (CID 114468208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).