N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine

C15H24N2O — CID 115299984

IUPACN-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(CN2CCC(NC)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)11-17-9-8-14(12-17)16-2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyQEOVURLDJIKBSO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine

N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 115299984) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID115299984
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCCCOc1ccc(CN2CCC(NC)C2)cc1
InChIInChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)11-17-9-8-14(12-17)16-2/h4-7,14,16H,3,8-12H2,1-2H3
InChIKeyQEOVURLDJIKBSO-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
CID 119918358
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671
1-[2-(4-ethoxyphenyl)ethyl]-N-methylpiperidin-4-amine
CID 147131335
N,4-dimethyl-1-[(4-propoxyphenyl)methyl]piperidin-4-amine
CID 115304080
N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
CID 66689031
1-[[4-(difluoromethyl)phenyl]methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834027
1-[(4-ethoxy-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834084
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
(5aS,9aR)-4-methyl-7-[(4-propoxyphenyl)methyl]-3,5a,6,8,9,9a-hexahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
CID 146069999

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine (CID 115299984) is N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine is CCCOc1ccc(CN2CCC(NC)C2)cc1.
What is the InChIKey of N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is QEOVURLDJIKBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-10-18-15-6-4-13(5-7-15)11-17-9-8-14(12-17)16-2/h4-7,14,16H,3,8-12H2,1-2H3.
What are the key properties of N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine?
N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-propoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115299984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).