N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine

C18H19FN2 — CID 102911465

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCc1cc(CNCc2ccc3cc[nH]c3c2)cc(C)c1F
InChIInChI=1S/C18H19FN2/c1-12-7-15(8-13(2)18(12)19)11-20-10-14-3-4-16-5-6-21-17(16)9-14/h3-9,20-21H,10-11H2,1-2H3
InChIKeyDZUSHKPBHRHNTL-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.21
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine (PubChem CID 102911465) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
PubChem CID102911465
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
SMILESCc1cc(CNCc2ccc3cc[nH]c3c2)cc(C)c1F
InChIInChI=1S/C18H19FN2/c1-12-7-15(8-13(2)18(12)19)11-20-10-14-3-4-16-5-6-21-17(16)9-14/h3-9,20-21H,10-11H2,1-2H3
InChIKeyDZUSHKPBHRHNTL-UHFFFAOYSA-N
XLogP4.21
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine 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

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728
N-(1H-indol-6-ylmethyl)but-2-yn-1-amine
CID 102911908
N-(1H-indol-6-ylmethyl)butan-1-amine
CID 63749151
N-(furan-3-ylmethyl)-1-(1H-indol-6-yl)methanamine
CID 102912129
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911385
1-(1H-indol-6-yl)-N-methoxymethanamine
CID 82599129
1-(3-ethoxyphenyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102909966
4-bromo-N-(1H-indol-6-ylmethyl)-2-methoxy-6-methylaniline
CID 102910112
N-[(3-ethylthiophen-2-yl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911461
N-(1H-indol-6-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 53274315
N-(1H-indol-6-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 102909156
1-(4-ethylcyclohexyl)-N-(1H-indol-6-ylmethyl)methanamine
CID 102910232

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine (CID 102911465) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine is Cc1cc(CNCc2ccc3cc[nH]c3c2)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine?
The InChIKey is DZUSHKPBHRHNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-12-7-15(8-13(2)18(12)19)11-20-10-14-3-4-16-5-6-21-17(16)9-14/h3-9,20-21H,10-11H2,1-2H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine has a molecular weight of 282.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine is sourced from PubChem (CID 102911465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).