N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine

C16H26N2O — CID 79033050

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCOCc1cccc(CNCC(C)N2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-14(18-8-3-4-9-18)11-17-12-15-6-5-7-16(10-15)13-19-2/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3
InChIKeyCPLWQVZXZWBPHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.41
Rot. Bonds7

About N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine

N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79033050) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID79033050
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
SMILESCOCc1cccc(CNCC(C)N2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-14(18-8-3-4-9-18)11-17-12-15-6-5-7-16(10-15)13-19-2/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3
InChIKeyCPLWQVZXZWBPHB-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-[[3-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylethanone
CID 54896178
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111325863
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine (CID 79033050) is N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine is COCc1cccc(CNCC(C)N2CCCC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CPLWQVZXZWBPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(18-8-3-4-9-18)11-17-12-15-6-5-7-16(10-15)13-19-2/h5-7,10,14,17H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine?
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79033050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).