4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline

C16H15FN2 — CID 102910801

IUPAC4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C16H15FN2/c1-11-8-14(3-4-15(11)17)19-10-12-2-5-16-13(9-12)6-7-18-16/h2-9,18-19H,10H2,1H3
InChIKeyXKYHKTIQWYEWHS-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.23
Rot. Bonds3

About 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline

4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline (PubChem CID 102910801) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
PubChem CID102910801
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
SMILESCc1cc(NCc2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C16H15FN2/c1-11-8-14(3-4-15(11)17)19-10-12-2-5-16-13(9-12)6-7-18-16/h2-9,18-19H,10H2,1H3
InChIKeyXKYHKTIQWYEWHS-UHFFFAOYSA-N
XLogP4.23
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-3-fluoro-N-(1H-indol-5-ylmethyl)aniline;hydrochloride
CID 17221843
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
2,3,4-trifluoro-N-(1H-indol-5-ylmethyl)aniline
CID 102909199
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
N-[(4-fluoro-3-methylphenyl)methyl]-2H-benzotriazol-5-amine
CID 71845501
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline?
The IUPAC name of 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline (CID 102910801) is 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline.
What is the SMILES notation for 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline?
The canonical SMILES for 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline is Cc1cc(NCc2ccc3[nH]ccc3c2)ccc1F.
What is the InChIKey of 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline?
The InChIKey is XKYHKTIQWYEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-8-14(3-4-15(11)17)19-10-12-2-5-16-13(9-12)6-7-18-16/h2-9,18-19H,10H2,1H3.
What are the key properties of 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline?
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline has a molecular weight of 254.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline is sourced from PubChem (CID 102910801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).