2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride

C26H30ClNO — CID 141033404

IUPAC2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride
SMILESCNCC(C(=O)c1ccccc1)C(CCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H29NO.ClH/c1-27-20-25(26(28)23-17-9-4-10-18-23)24(22-15-7-3-8-16-22)19-11-14-21-12-5-2-6-13-21;/h2-10,12-13,15-18,24-25,27H,11,14,19-20H2,1H3;1H
InChIKeyFVIMCPQJIYOZDN-UHFFFAOYSA-N
MW407.99 g/mol
LogP5.93
Rot. Bonds10

About 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride

2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride (PubChem CID 141033404) has the molecular formula C26H30ClNO and a molecular weight of 407.99 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride
PubChem CID141033404
Molecular FormulaC26H30ClNO
Molecular Weight407.99 g/mol
Exact Mass407.20
IUPAC Name2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride
SMILESCNCC(C(=O)c1ccccc1)C(CCCc1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C26H29NO.ClH/c1-27-20-25(26(28)23-17-9-4-10-18-23)24(22-15-7-3-8-16-22)19-11-14-21-12-5-2-6-13-21;/h2-10,12-13,15-18,24-25,27H,11,14,19-20H2,1H3;1H
InChIKeyFVIMCPQJIYOZDN-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.99
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-5-phenylpentan-1-amine;hydrochloride
CID 122239963
3-hydroxy-1-phenyl-2-(2-phenylethyl)butan-1-one
CID 101155238
3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
CID 139254931
N-methyl-1,5-diphenylheptan-4-amine
CID 115849452
N-(1,3-diphenylpropyl)-2-methyl-3-(methylamino)propanamide
CID 119737624
ethyl 2-benzoyl-5-phenylpentanoate
CID 57081921
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
2-benzoyl-11-phenylundecanoic acid
CID 54512178
2-amino-1,4-diphenylbutan-1-one;hydrochloride
CID 66915929
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride?
The IUPAC name of 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride (CID 141033404) is 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride.
What is the SMILES notation for 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride?
The canonical SMILES for 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride is CNCC(C(=O)c1ccccc1)C(CCCc1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride?
The InChIKey is FVIMCPQJIYOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO.ClH/c1-27-20-25(26(28)23-17-9-4-10-18-23)24(22-15-7-3-8-16-22)19-11-14-21-12-5-2-6-13-21;/h2-10,12-13,15-18,24-25,27H,11,14,19-20H2,1H3;1H.
What are the key properties of 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride?
2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-1,3,6-triphenylhexan-1-one;hydrochloride is sourced from PubChem (CID 141033404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).