N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine

C21H26N2 — CID 170866724

IUPACN,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine
SMILESCc1ccc(Cn2ccc3ccc(CCCN(C)C)cc32)cc1
InChIInChI=1S/C21H26N2/c1-17-6-8-19(9-7-17)16-23-14-12-20-11-10-18(15-21(20)23)5-4-13-22(2)3/h6-12,14-15H,4-5,13,16H2,1-3H3
InChIKeyUDQIYPGGBVPVGT-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.49
Rot. Bonds6

About N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine

N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine (PubChem CID 170866724) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine
PubChem CID170866724
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine
SMILESCc1ccc(Cn2ccc3ccc(CCCN(C)C)cc32)cc1
InChIInChI=1S/C21H26N2/c1-17-6-8-19(9-7-17)16-23-14-12-20-11-10-18(15-21(20)23)5-4-13-22(2)3/h6-12,14-15H,4-5,13,16H2,1-3H3
InChIKeyUDQIYPGGBVPVGT-UHFFFAOYSA-N
XLogP4.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
CID 170866731
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
CID 170865408
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
4-[3-(1-benzylindol-6-yl)propyl]morpholine
CID 170870729
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine (CID 170866724) is N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine is Cc1ccc(Cn2ccc3ccc(CCCN(C)C)cc32)cc1.
What is the InChIKey of N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine?
The InChIKey is UDQIYPGGBVPVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-17-6-8-19(9-7-17)16-23-14-12-20-11-10-18(15-21(20)23)5-4-13-22(2)3/h6-12,14-15H,4-5,13,16H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine?
N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine has a molecular weight of 306.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine is sourced from PubChem (CID 170866724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).