1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine

C16H22N2O — CID 162389294

IUPAC1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOc1c(C)ccc2c1ccn2CC1(N(C)C)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-6-14-13(15(12)19-4)7-10-18(14)11-16(8-9-16)17(2)3/h5-7,10H,8-9,11H2,1-4H3
InChIKeyVKGYAUXATBLPHA-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.05
Rot. Bonds4

About 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine

1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine (PubChem CID 162389294) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
PubChem CID162389294
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
SMILESCOc1c(C)ccc2c1ccn2CC1(N(C)C)CC1
InChIInChI=1S/C16H22N2O/c1-12-5-6-14-13(15(12)19-4)7-10-18(14)11-16(8-9-16)17(2)3/h5-7,10H,8-9,11H2,1-4H3
InChIKeyVKGYAUXATBLPHA-UHFFFAOYSA-N
XLogP3.05
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,5-difluoroindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine
CID 162389133
N,N-dimethyl-1-[(5-propan-2-yloxyindol-1-yl)methyl]cyclopropan-1-amine
CID 162388983
1-(3-methoxypropyl)-4-methylindole
CID 116620203
N'-(2-methoxy-3,4-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 103434185
4-methoxy-1,5-dimethylindazole
CID 170279766
2-(4-methoxyindol-1-yl)-N,N-dimethylethanamine
CID 83173897
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
1-[(2-methoxy-5-methylphenyl)methyl]-4-methylindole
CID 116620241
4,4'-dimethoxy-5,5'-dimethyl-3,3'-spirobi[1,2-dihydroindene];ethane
CID 145190891
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine (CID 162389294) is 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine is COc1c(C)ccc2c1ccn2CC1(N(C)C)CC1.
What is the InChIKey of 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
The InChIKey is VKGYAUXATBLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-5-6-14-13(15(12)19-4)7-10-18(14)11-16(8-9-16)17(2)3/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine?
1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-5-methylindol-1-yl)methyl]-N,N-dimethylcyclopropan-1-amine is sourced from PubChem (CID 162389294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).