N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine

C14H22N2O — CID 66916325

IUPACN-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine
SMILESCOc1ccccc1C(C)(C)NC1CCNC1
InChIInChI=1S/C14H22N2O/c1-14(2,16-11-8-9-15-10-11)12-6-4-5-7-13(12)17-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyQKKUCMNPWZSIGG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.88
Rot. Bonds4

About N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine

N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine (PubChem CID 66916325) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine
PubChem CID66916325
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine
SMILESCOc1ccccc1C(C)(C)NC1CCNC1
InChIInChI=1S/C14H22N2O/c1-14(2,16-11-8-9-15-10-11)12-6-4-5-7-13(12)17-3/h4-7,11,15-16H,8-10H2,1-3H3
InChIKeyQKKUCMNPWZSIGG-UHFFFAOYSA-N
XLogP1.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine (CID 66916325) is N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine is COc1ccccc1C(C)(C)NC1CCNC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine?
The InChIKey is QKKUCMNPWZSIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,16-11-8-9-15-10-11)12-6-4-5-7-13(12)17-3/h4-7,11,15-16H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine?
N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 66916325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).