2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine

C18H30N2O — CID 63055726

IUPAC2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-16(2)14-19-15-17-7-5-8-18(13-17)21-12-6-11-20-9-3-4-10-20/h5,7-8,13,16,19H,3-4,6,9-12,14-15H2,1-2H3
InChIKeyIFCZINYZPVLXFB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.30
Rot. Bonds9

About 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine (PubChem CID 63055726) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
PubChem CID63055726
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(OCCCN2CCCC2)c1
InChIInChI=1S/C18H30N2O/c1-16(2)14-19-15-17-7-5-8-18(13-17)21-12-6-11-20-9-3-4-10-20/h5,7-8,13,16,19H,3-4,6,9-12,14-15H2,1-2H3
InChIKeyIFCZINYZPVLXFB-UHFFFAOYSA-N
XLogP3.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 62418261
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
N-[(3-propoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957364
N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60872169
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
2-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 54961021
2-(azepan-1-yl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 60956669
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
1-[(3-butoxyphenyl)methylamino]propan-2-ol
CID 54849199
3-(3-pyrrolidin-1-ylpropoxy)phenol
CID 61494316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine (CID 63055726) is 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1cccc(OCCCN2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine?
The InChIKey is IFCZINYZPVLXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)14-19-15-17-7-5-8-18(13-17)21-12-6-11-20-9-3-4-10-20/h5,7-8,13,16,19H,3-4,6,9-12,14-15H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63055726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).