N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine

C18H19FN2 — CID 103748728

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
SMILESCc1cc(CNCc2cccc3cc[nH]c23)cc(C)c1F
InChIInChI=1S/C18H19FN2/c1-12-8-14(9-13(2)17(12)19)10-20-11-16-5-3-4-15-6-7-21-18(15)16/h3-9,20-21H,10-11H2,1-2H3
InChIKeySXLYYHPLCRAEHF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.21
Rot. Bonds4

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine (PubChem CID 103748728) 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-7-yl)methanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
PubChem CID103748728
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
SMILESCc1cc(CNCc2cccc3cc[nH]c23)cc(C)c1F
InChIInChI=1S/C18H19FN2/c1-12-8-14(9-13(2)17(12)19)10-20-11-16-5-3-4-15-6-7-21-18(15)16/h3-9,20-21H,10-11H2,1-2H3
InChIKeySXLYYHPLCRAEHF-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

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Related Compounds

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-6-yl)methanamine
CID 102911465
1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 102847635
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 167980095
N-(1H-indol-7-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607465
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
2,3,5-trifluoro-N-(1H-indol-7-ylmethyl)aniline
CID 102910790
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-(1H-indol-7-ylmethylamino)-N-methylacetamide
CID 103640761
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
CID 104889469
N-(1H-indol-7-ylmethyl)-4-iodo-2-methylaniline
CID 102909688

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine (CID 103748728) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine is Cc1cc(CNCc2cccc3cc[nH]c23)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine?
The InChIKey is SXLYYHPLCRAEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-12-8-14(9-13(2)17(12)19)10-20-11-16-5-3-4-15-6-7-21-18(15)16/h3-9,20-21H,10-11H2,1-2H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-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-7-yl)methanamine is sourced from PubChem (CID 103748728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).