N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C17H26N2O — CID 61223960

IUPACN-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESC=CCOc1ccc(CNC(C)CN2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-12-20-17-8-6-16(7-9-17)13-18-15(2)14-19-10-4-5-11-19/h3,6-9,15,18H,1,4-5,10-14H2,2H3
InChIKeyJQQDUUKGNHDSJJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds8

About N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61223960) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61223960
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESC=CCOc1ccc(CNC(C)CN2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-3-12-20-17-8-6-16(7-9-17)13-18-15(2)14-19-10-4-5-11-19/h3,6-9,15,18H,1,4-5,10-14H2,2H3
InChIKeyJQQDUUKGNHDSJJ-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 61223958
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223769
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435056
1-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 63010555
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
1-[(4-prop-2-enoxyphenyl)methyl]piperidine
CID 2281055
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81388633
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-[(3-chloro-4-iodophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 103208125

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61223960) is N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is C=CCOc1ccc(CNC(C)CN2CCCC2)cc1.
What is the InChIKey of N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is JQQDUUKGNHDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-12-20-17-8-6-16(7-9-17)13-18-15(2)14-19-10-4-5-11-19/h3,6-9,15,18H,1,4-5,10-14H2,2H3.
What are the key properties of N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61223960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).