1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride

C23H30ClNO — CID 67853322

IUPAC1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)CCCCC)cc2)cc1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-4-6-7-8-23(25)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-24(3)17-5-2;/h5,9-16H,2,4,6-8,17-18H2,1,3H3;1H
InChIKeyINSNZYUDBYBHTR-UHFFFAOYSA-N
MW371.95 g/mol
LogP6.16
Rot. Bonds10

About 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride

1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride (PubChem CID 67853322) has the molecular formula C23H30ClNO and a molecular weight of 371.95 g/mol. Its IUPAC name is 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
PubChem CID67853322
Molecular FormulaC23H30ClNO
Molecular Weight371.95 g/mol
Exact Mass371.20
IUPAC Name1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride
SMILESC=CCN(C)Cc1ccc(-c2ccc(C(=O)CCCCC)cc2)cc1.Cl
InChIInChI=1S/C23H29NO.ClH/c1-4-6-7-8-23(25)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-24(3)17-5-2;/h5,9-16H,2,4,6-8,17-18H2,1,3H3;1H
InChIKeyINSNZYUDBYBHTR-UHFFFAOYSA-N
XLogP6.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.95
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
(4-bromophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 44570860
[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165
(4-fluorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone
CID 54007184
1-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butan-1-one
CID 19043759
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
(2,4-dichlorophenyl)-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]methanone;hydrochloride
CID 67784535
1-(4-propylphenyl)decan-1-one
CID 65449493

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride?
The IUPAC name of 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride (CID 67853322) is 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride is C=CCN(C)Cc1ccc(-c2ccc(C(=O)CCCCC)cc2)cc1.Cl.
What is the InChIKey of 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride?
The InChIKey is INSNZYUDBYBHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.ClH/c1-4-6-7-8-23(25)22-15-13-21(14-16-22)20-11-9-19(10-12-20)18-24(3)17-5-2;/h5,9-16H,2,4,6-8,17-18H2,1,3H3;1H.
What are the key properties of 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride?
1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride has a molecular weight of 371.95 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]hexan-1-one;hydrochloride is sourced from PubChem (CID 67853322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).