N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

C17H28N2O — CID 106603195

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCOCc1ccc(CN(CC2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19(12-17-5-4-10-18-17)11-15-6-8-16(9-7-15)13-20-3/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyIGKFARCWQSSNLB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine

N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (PubChem CID 106603195) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
PubChem CID106603195
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
SMILESCOCc1ccc(CN(CC2CCCN2)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-14(2)19(12-17-5-4-10-18-17)11-15-6-8-16(9-7-15)13-20-3/h6-9,14,17-18H,4-5,10-13H2,1-3H3
InChIKeyIGKFARCWQSSNLB-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine (CID 106603195) is N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is COCc1ccc(CN(CC2CCCN2)C(C)C)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
The InChIKey is IGKFARCWQSSNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)19(12-17-5-4-10-18-17)11-15-6-8-16(9-7-15)13-20-3/h6-9,14,17-18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106603195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).