2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine

C19H22N2 — CID 83977083

IUPAC2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
SMILESCc1cc(C)cc(C(CN)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2/c1-13-7-14(2)9-15(8-13)16(11-20)10-17-12-21-19-6-4-3-5-18(17)19/h3-9,12,16,21H,10-11,20H2,1-2H3
InChIKeyRIWKICUJKLHMEG-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.07
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine

2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine (PubChem CID 83977083) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
PubChem CID83977083
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine
SMILESCc1cc(C)cc(C(CN)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H22N2/c1-13-7-14(2)9-15(8-13)16(11-20)10-17-12-21-19-6-4-3-5-18(17)19/h3-9,12,16,21H,10-11,20H2,1-2H3
InChIKeyRIWKICUJKLHMEG-UHFFFAOYSA-N
XLogP4.07
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
[1-[(3,5-dimethylphenyl)methoxy]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-trimethylazanium
CID 19003130
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 10041814
1-(1H-indol-3-yl)butan-2-amine
CID 8367
3-(2-fluoropropyl)-1H-indole
CID 142409179
3-(2,2-diethoxyethyl)-1H-indole
CID 13270992
CID 90360713
CID 90360713
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
(3,5-dimethylphenyl)methyl 2-(dimethylamino)-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 19003144

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine (CID 83977083) is 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine is Cc1cc(C)cc(C(CN)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine?
The InChIKey is RIWKICUJKLHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13-7-14(2)9-15(8-13)16(11-20)10-17-12-21-19-6-4-3-5-18(17)19/h3-9,12,16,21H,10-11,20H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine?
2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83977083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).