1-(1-benzylindol-6-yl)-N-methylpropan-2-amine

C19H22N2 — CID 115107353

IUPAC1-(1-benzylindol-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H22N2/c1-15(20-2)12-17-8-9-18-10-11-21(19(18)13-17)14-16-6-4-3-5-7-16/h3-11,13,15,20H,12,14H2,1-2H3
InChIKeyUJBDWIHCTGEEIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.84
Rot. Bonds5

About 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine

1-(1-benzylindol-6-yl)-N-methylpropan-2-amine (PubChem CID 115107353) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzylindol-6-yl)-N-methylpropan-2-amine
PubChem CID115107353
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name1-(1-benzylindol-6-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C19H22N2/c1-15(20-2)12-17-8-9-18-10-11-21(19(18)13-17)14-16-6-4-3-5-7-16/h3-11,13,15,20H,12,14H2,1-2H3
InChIKeyUJBDWIHCTGEEIN-UHFFFAOYSA-N
XLogP3.84
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methylindol-6-yl)propan-2-amine
CID 115106675
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
1-[1-[(3-bromophenyl)methyl]indol-6-yl]propan-2-amine
CID 102917946
1-benzylindol-6-amine
CID 69325204
3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
CID 170866731
N-methyl-1-phenylpropan-2-amine
CID 118309477
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
azane;dichloromethane;(2S)-N-methyl-1-phenylpropan-2-amine;hydrate;hydrochloride
CID 173052639

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine (CID 115107353) is 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine?
The InChIKey is UJBDWIHCTGEEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-15(20-2)12-17-8-9-18-10-11-21(19(18)13-17)14-16-6-4-3-5-7-16/h3-11,13,15,20H,12,14H2,1-2H3.
What are the key properties of 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine?
1-(1-benzylindol-6-yl)-N-methylpropan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindol-6-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 115107353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).