N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine

C17H28N2O — CID 63300619

IUPACN-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCOc1cccc(CN(CCC)C2CCNC2)c1
InChIInChI=1S/C17H28N2O/c1-3-10-19(16-8-9-18-13-16)14-15-6-5-7-17(12-15)20-11-4-2/h5-7,12,16,18H,3-4,8-11,13-14H2,1-2H3
InChIKeyIXLPCBPKTZZYLW-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds8

About N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 63300619) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID63300619
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCOc1cccc(CN(CCC)C2CCNC2)c1
InChIInChI=1S/C17H28N2O/c1-3-10-19(16-8-9-18-13-16)14-15-6-5-7-17(12-15)20-11-4-2/h5-7,12,16,18H,3-4,8-11,13-14H2,1-2H3
InChIKeyIXLPCBPKTZZYLW-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[(3-propoxyphenyl)methyl]-N-propylpiperidin-3-amine
CID 63636894
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-methyl-1-piperidin-4-yl-N-[(3-propoxyphenyl)methyl]methanamine
CID 79707512
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(3,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921462
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109

Frequently Asked Questions

What is the IUPAC name of N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine (CID 63300619) is N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine is CCCOc1cccc(CN(CCC)C2CCNC2)c1.
What is the InChIKey of N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is IXLPCBPKTZZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-19(16-8-9-18-13-16)14-15-6-5-7-17(12-15)20-11-4-2/h5-7,12,16,18H,3-4,8-11,13-14H2,1-2H3.
What are the key properties of N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 63300619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).