N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline

C19H22N2 — CID 15305921

IUPACN-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N2/c1-13(15-8-4-6-10-18(15)20-3)12-17-14(2)21-19-11-7-5-9-16(17)19/h4-11,13,20-21H,12H2,1-3H3
InChIKeyHPXZVHNQXZLATD-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.86
Rot. Bonds4

About N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline

N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline (PubChem CID 15305921) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline
PubChem CID15305921
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline
SMILESCNc1ccccc1C(C)Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N2/c1-13(15-8-4-6-10-18(15)20-3)12-17-14(2)21-19-11-7-5-9-16(17)19/h4-11,13,20-21H,12H2,1-3H3
InChIKeyHPXZVHNQXZLATD-UHFFFAOYSA-N
XLogP4.86
TPSA27.82 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 ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid
CID 67628327
N-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]methanimine
CID 147557475
3-ethyl-2-methyl-1H-indole;propane
CID 156727003
2-(2-methyl-1H-indol-3-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60555655
N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
2-amino-N,N-dimethyl-3-(2-methyl-1H-indol-3-yl)propanamide
CID 116850216
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
4-[(2-methyl-1H-indol-3-yl)methyl]phenol
CID 21239687

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline?
The IUPAC name of N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline (CID 15305921) is N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline.
What is the SMILES notation for N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline?
The canonical SMILES for N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline is CNc1ccccc1C(C)Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline?
The InChIKey is HPXZVHNQXZLATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-13(15-8-4-6-10-18(15)20-3)12-17-14(2)21-19-11-7-5-9-16(17)19/h4-11,13,20-21H,12H2,1-3H3.
What are the key properties of N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline?
N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline has a molecular weight of 278.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-methyl-1H-indol-3-yl)propan-2-yl]aniline is sourced from PubChem (CID 15305921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).