N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine

C16H26N2O — CID 81376076

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cccc([C@H](C)NC2CCN(C(C)C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)18-9-8-15(11-18)17-13(3)14-6-5-7-16(10-14)19-4/h5-7,10,12-13,15,17H,8-9,11H2,1-4H3/t13-,15?/m0/s1
InChIKeyADCRAFUZTATMPS-CFMCSPIPSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds5

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 81376076) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID81376076
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1cccc([C@H](C)NC2CCN(C(C)C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12(2)18-9-8-15(11-18)17-13(3)14-6-5-7-16(10-14)19-4/h5-7,10,12-13,15,17H,8-9,11H2,1-4H3/t13-,15?/m0/s1
InChIKeyADCRAFUZTATMPS-CFMCSPIPSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[1-(3-methoxyphenyl)ethyl]thian-4-amine
CID 54863730
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
(3R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 11516096
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxetan-3-amine
CID 81375713
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
N-[1-(3-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195069

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine (CID 81376076) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine is COc1cccc([C@H](C)NC2CCN(C(C)C)C2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ADCRAFUZTATMPS-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)18-9-8-15(11-18)17-13(3)14-6-5-7-16(10-14)19-4/h5-7,10,12-13,15,17H,8-9,11H2,1-4H3/t13-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 5 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-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 81376076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).