N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine

C14H22N2O — CID 115118837

IUPACN-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)17-14-5-3-12(4-6-14)9-16-13-7-8-15-10-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyPILHIBNUYTYZNG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.93
Rot. Bonds5

About N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine

N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115118837) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID115118837
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
SMILESCC(C)Oc1ccc(CNC2CCNC2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)17-14-5-3-12(4-6-14)9-16-13-7-8-15-10-13/h3-6,11,13,15-16H,7-10H2,1-2H3
InChIKeyPILHIBNUYTYZNG-UHFFFAOYSA-N
XLogP1.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749
N-[(4-aminophenyl)methyl]pyrrolidin-3-amine
CID 19853352
3,5-dimethyl-N-[(4-propan-2-yloxyphenyl)methyl]cyclohexan-1-amine
CID 64733234
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine (CID 115118837) is N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine is CC(C)Oc1ccc(CNC2CCNC2)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is PILHIBNUYTYZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)17-14-5-3-12(4-6-14)9-16-13-7-8-15-10-13/h3-6,11,13,15-16H,7-10H2,1-2H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine?
N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).