N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

C17H28N2O — CID 61223769

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)20-17-8-6-16(7-9-17)12-18-15(3)13-19-10-4-5-11-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyHMFAYJODOUPMFF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61223769) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61223769
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)20-17-8-6-16(7-9-17)12-18-15(3)13-19-10-4-5-11-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3
InChIKeyHMFAYJODOUPMFF-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
2-[4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 61223958
N-[(4-prop-2-enoxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61223960
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
1-piperidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-2-amine
CID 103437679
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
N-[(3-chloro-4-iodophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 103208125
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61223769) is N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is HMFAYJODOUPMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)20-17-8-6-16(7-9-17)12-18-15(3)13-19-10-4-5-11-19/h6-9,14-15,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61223769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).