5-(aminomethyl)-1-phenyloctan-4-one

C15H23NO — CID 116574452

IUPAC5-(aminomethyl)-1-phenyloctan-4-one
SMILESCCCC(CN)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-7-14(12-16)15(17)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,16H2,1H3
InChIKeyULQRTPRMPRPQQO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.95
Rot. Bonds8

About 5-(aminomethyl)-1-phenyloctan-4-one

5-(aminomethyl)-1-phenyloctan-4-one (PubChem CID 116574452) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(aminomethyl)-1-phenyloctan-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-phenyloctan-4-one
PubChem CID116574452
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name5-(aminomethyl)-1-phenyloctan-4-one
SMILESCCCC(CN)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO/c1-2-7-14(12-16)15(17)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,16H2,1H3
InChIKeyULQRTPRMPRPQQO-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(aminomethyl)pentanoylamino]-4-phenylbutanoic acid
CID 104983409
3-(aminomethyl)-1-(2-methylphenyl)hexan-2-one
CID 116574564
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
4-ethyl-1-phenylhexan-3-one
CID 71072308
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
3-hydroxy-1-phenylnonan-4-one
CID 135039078
5-methoxy-1-phenylheptan-4-one
CID 116707095
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
butylbenzene;carbonic acid
CID 158278492
2-methyl-7-phenylheptan-3-one
CID 13129845
2-amino-1-[4-(4-phenylbutanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 119312366
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-phenyloctan-4-one?
The IUPAC name of 5-(aminomethyl)-1-phenyloctan-4-one (CID 116574452) is 5-(aminomethyl)-1-phenyloctan-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-phenyloctan-4-one?
The canonical SMILES for 5-(aminomethyl)-1-phenyloctan-4-one is CCCC(CN)C(=O)CCCc1ccccc1.
What is the InChIKey of 5-(aminomethyl)-1-phenyloctan-4-one?
The InChIKey is ULQRTPRMPRPQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-7-14(12-16)15(17)11-6-10-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,16H2,1H3.
What are the key properties of 5-(aminomethyl)-1-phenyloctan-4-one?
5-(aminomethyl)-1-phenyloctan-4-one has a molecular weight of 233.36 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-phenyloctan-4-one is sourced from PubChem (CID 116574452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).