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

C16H26N2O — CID 103748166

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1ccccc1CCNC1CCN(C(C)C)C1
InChIInChI=1S/C16H26N2O/c1-13(2)18-11-9-15(12-18)17-10-8-14-6-4-5-7-16(14)19-3/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyQISGHZACRCRWTG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.31
Rot. Bonds6

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

N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 103748166) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
PubChem CID103748166
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
SMILESCOc1ccccc1CCNC1CCN(C(C)C)C1
InChIInChI=1S/C16H26N2O/c1-13(2)18-11-9-15(12-18)17-10-8-14-6-4-5-7-16(14)19-3/h4-7,13,15,17H,8-12H2,1-3H3
InChIKeyQISGHZACRCRWTG-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyphenyl)propyl]-1-propan-2-ylpiperidin-4-amine
CID 50981884
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
N-[2-(2-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847588
4-tert-butyl-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 783786
3-N-[2-(2-methoxyphenyl)ethyl]cyclopentane-1,3-diamine
CID 114165383
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(2-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine-1-carboxamide
CID 113103333
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 55225914
1-[3-(2-methoxyphenyl)propanoyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110086198

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine (CID 103748166) is N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine is COc1ccccc1CCNC1CCN(C(C)C)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is QISGHZACRCRWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)18-11-9-15(12-18)17-10-8-14-6-4-5-7-16(14)19-3/h4-7,13,15,17H,8-12H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine?
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 103748166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).