1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine

C23H28ClF2N — CID 23105876

IUPAC1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(CCc2ccccc2)CCC1(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H28ClF2N/c1-27(2)16-20-14-18(9-8-17-6-4-3-5-7-17)12-13-23(20,26)19-10-11-22(25)21(24)15-19/h3-7,10-11,15,18,20H,8-9,12-14,16H2,1-2H3
InChIKeyOSASBLGBGUDKDW-UHFFFAOYSA-N
MW391.93 g/mol
LogP6.25
Rot. Bonds6

About 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine

1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine (PubChem CID 23105876) has the molecular formula C23H28ClF2N and a molecular weight of 391.93 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine
PubChem CID23105876
Molecular FormulaC23H28ClF2N
Molecular Weight391.93 g/mol
Exact Mass391.19
IUPAC Name1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(CCc2ccccc2)CCC1(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C23H28ClF2N/c1-27(2)16-20-14-18(9-8-17-6-4-3-5-7-17)12-13-23(20,26)19-10-11-22(25)21(24)15-19/h3-7,10-11,15,18,20H,8-9,12-14,16H2,1-2H3
InChIKeyOSASBLGBGUDKDW-UHFFFAOYSA-N
XLogP6.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.93
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105735
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105878
2-[(dimethylamino)methyl]-1-(2,5-dimethylphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10292300
2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
CID 23105689
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745
ethane;1-phenyl-4-(2-phenylethyl)cycloheptan-1-amine
CID 143883025
2-(3-chlorocyclopentyl)ethylbenzene
CID 64515887
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
2-phenylethylcyclooctane
CID 54073487
4-(4-chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10135239
1-[2-[(4-chlorophenyl)methyl]-2-phenylcyclopropyl]-N,N-dimethylmethanamine
CID 172863995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine (CID 23105876) is 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine is CN(C)CC1CC(CCc2ccccc2)CCC1(F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine?
The InChIKey is OSASBLGBGUDKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClF2N/c1-27(2)16-20-14-18(9-8-17-6-4-3-5-7-17)12-13-23(20,26)19-10-11-22(25)21(24)15-19/h3-7,10-11,15,18,20H,8-9,12-14,16H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine?
1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine has a molecular weight of 391.93 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluorophenyl)-2-fluoro-5-(2-phenylethyl)cyclohexyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 23105876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).