N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

C15H24N2O — CID 81467676

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1cccc([C@H](C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-8-14(10-17(11)3)16-12(2)13-6-5-7-15(9-13)18-4/h5-7,9,11-12,14,16H,8,10H2,1-4H3/t11?,12-,14?/m0/s1
InChIKeyLVVAMOUZKPJGCG-LXVYMNJGSA-N
MW248.37 g/mol
LogP2.44
Rot. Bonds4

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81467676) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81467676
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCOc1cccc([C@H](C)NC2CC(C)N(C)C2)c1
InChIInChI=1S/C15H24N2O/c1-11-8-14(10-17(11)3)16-12(2)13-6-5-7-15(9-13)18-4/h5-7,9,11-12,14,16H,8,10H2,1-4H3/t11?,12-,14?/m0/s1
InChIKeyLVVAMOUZKPJGCG-LXVYMNJGSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
1,5-dimethyl-N-[1-(3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 81333927
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyloxan-4-amine
CID 81376823
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81467676) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is COc1cccc([C@H](C)NC2CC(C)N(C)C2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is LVVAMOUZKPJGCG-LXVYMNJGSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-14(10-17(11)3)16-12(2)13-6-5-7-15(9-13)18-4/h5-7,9,11-12,14,16H,8,10H2,1-4H3/t11?,12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81467676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).