N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine

C18H20N2 — CID 102910050

IUPACN-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2/c1-13-3-6-16(7-4-13)14(2)20-12-15-5-8-17-9-10-19-18(17)11-15/h3-11,14,19-20H,12H2,1-2H3
InChIKeyOYLWXKMGNFROOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.33
Rot. Bonds4

About N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine

N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 102910050) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
PubChem CID102910050
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC NameN-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C18H20N2/c1-13-3-6-16(7-4-13)14(2)20-12-15-5-8-17-9-10-19-18(17)11-15/h3-11,14,19-20H,12H2,1-2H3
InChIKeyOYLWXKMGNFROOK-UHFFFAOYSA-N
XLogP4.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911528
N-(1H-indol-6-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 102911336
(1S)-1-(3-fluorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911546
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911382
4-[1-(1H-indol-5-ylmethylamino)ethyl]benzonitrile
CID 102909627
1-N-ethyl-2-N-(1H-indol-6-ylmethyl)propane-1,2-diamine
CID 113407270
1-(2,5-dimethylphenyl)-N-(1H-indol-5-ylmethyl)ethanamine
CID 102909779
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
1-(4-iodophenyl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43765203
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81357069

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine (CID 102910050) is N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCc2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is OYLWXKMGNFROOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-13-3-6-16(7-4-13)14(2)20-12-15-5-8-17-9-10-19-18(17)11-15/h3-11,14,19-20H,12H2,1-2H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine?
N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102910050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).