N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine

C17H28N2O2 — CID 60881136

IUPACN-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-3-8-18-14-15-6-7-16(20-2)17(13-15)21-12-11-19-9-4-5-10-19/h6-7,13,18H,3-5,8-12,14H2,1-2H3
InChIKeyXDJJQRTVKRKRID-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds9

About N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine

N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 60881136) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID60881136
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OCCN2CCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-3-8-18-14-15-6-7-16(20-2)17(13-15)21-12-11-19-9-4-5-10-19/h6-7,13,18H,3-5,8-12,14H2,1-2H3
InChIKeyXDJJQRTVKRKRID-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-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

N-[[3-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 107687146
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289
2-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methyl]-1,1-dimethylhydrazine
CID 56700061
4-[2-methoxy-5-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 79361822
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199
N-[(4-heptoxy-3-methoxyphenyl)methyl]propan-1-amine
CID 43278628
N-[(3-methoxy-4-octoxyphenyl)methyl]propan-1-amine
CID 54804945
N-[(3-methoxy-4-nonoxyphenyl)methyl]propan-1-amine
CID 83951182
3-[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 20990596

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine (CID 60881136) is N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)c(OCCN2CCCC2)c1.
What is the InChIKey of N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XDJJQRTVKRKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-8-18-14-15-6-7-16(20-2)17(13-15)21-12-11-19-9-4-5-10-19/h6-7,13,18H,3-5,8-12,14H2,1-2H3.
What are the key properties of N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine?
N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 60881136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).