N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine

C20H24N2O — CID 84571792

IUPACN,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
SMILESCN(C)CCCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C20H24N2O/c1-21(2)13-7-14-22-15-12-18-19(22)10-6-11-20(18)23-16-17-8-4-3-5-9-17/h3-6,8-12,15H,7,13-14,16H2,1-2H3
InChIKeyRTTMBPBMASUUHW-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.17
Rot. Bonds7

About N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine

N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine (PubChem CID 84571792) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
PubChem CID84571792
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine
SMILESCN(C)CCCn1ccc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C20H24N2O/c1-21(2)13-7-14-22-15-12-18-19(22)10-6-11-20(18)23-16-17-8-4-3-5-9-17/h3-6,8-12,15H,7,13-14,16H2,1-2H3
InChIKeyRTTMBPBMASUUHW-UHFFFAOYSA-N
XLogP4.17
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-phenylmethoxyindole
CID 24776902
1-(bromomethyl)-4-phenylmethoxyindole
CID 59096925
1-(2-naphthalen-1-yloxyethyl)-4-phenylmethoxyindole
CID 84571556
CID 59096793
CID 59096793
1-(cyclopropylmethyl)-4-phenylmethoxyindole
CID 69006016
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
4-ethoxy-1-(phenylmethoxymethyl)indole
CID 102940706
1-(4-methylphenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571772
1-(1-phenylethyl)-4-phenylmethoxyindole
CID 84571178
4-phenylmethoxyindole-1-sulfinate
CID 23517350
3-methylbutyl 2-(4-phenylmethoxyindol-1-yl)acetate
CID 84573126
1-(4-bromophenyl)-2-(4-phenylmethoxyindol-1-yl)ethanone
CID 84571777

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine (CID 84571792) is N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine is CN(C)CCCn1ccc2c(OCc3ccccc3)cccc21.
What is the InChIKey of N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine?
The InChIKey is RTTMBPBMASUUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21(2)13-7-14-22-15-12-18-19(22)10-6-11-20(18)23-16-17-8-4-3-5-9-17/h3-6,8-12,15H,7,13-14,16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine?
N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenylmethoxyindol-1-yl)propan-1-amine is sourced from PubChem (CID 84571792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).