4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline

C17H20ClFN2 — CID 100694884

IUPAC4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
SMILESC[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(13-5-4-6-15(19)9-13)20-16-7-8-17(18)14(10-16)11-21(2)3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1
InChIKeyJGXVHHFLKUBBFG-GFCCVEGCSA-N
MW306.81 g/mol
LogP4.71
Rot. Bonds5

About 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline

4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline (PubChem CID 100694884) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
PubChem CID100694884
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline
SMILESC[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1cccc(F)c1
InChIInChI=1S/C17H20ClFN2/c1-12(13-5-4-6-15(19)9-13)20-16-7-8-17(18)14(10-16)11-21(2)3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1
InChIKeyJGXVHHFLKUBBFG-GFCCVEGCSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline 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

3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3-[(dimethylamino)methyl]-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43688866
2-chloro-5-[1-(3-fluorophenyl)ethylamino]-N-methylbenzamide
CID 60935297
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
3,4-dichloro-N-(1-phenylethyl)aniline
CID 43082168
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43111565
N-[1-(3-fluorophenyl)ethyl]-3-(2-methylpropoxy)aniline
CID 63449892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline?
The IUPAC name of 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline (CID 100694884) is 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline?
The canonical SMILES for 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline is C[C@@H](Nc1ccc(Cl)c(CN(C)C)c1)c1cccc(F)c1.
What is the InChIKey of 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline?
The InChIKey is JGXVHHFLKUBBFG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-12(13-5-4-6-15(19)9-13)20-16-7-8-17(18)14(10-16)11-21(2)3/h4-10,12,20H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline?
4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline has a molecular weight of 306.81 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(dimethylamino)methyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 100694884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).