(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine

C16H26N2O — CID 63650259

IUPAC(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCCCN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-7-15(14(2)17)16(12-13)19-11-5-10-18-8-3-4-9-18/h6-7,12,14H,3-5,8-11,17H2,1-2H3/t14-/m0/s1
InChIKeyUTGAWHQIXSVVPI-AWEZNQCLSA-N
MW262.40 g/mol
LogP2.88
Rot. Bonds6

About (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine

(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine (PubChem CID 63650259) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
PubChem CID63650259
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
SMILESCc1ccc([C@H](C)N)c(OCCCN2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-13-6-7-15(14(2)17)16(12-13)19-11-5-10-18-8-3-4-9-18/h6-7,12,14H,3-5,8-11,17H2,1-2H3/t14-/m0/s1
InChIKeyUTGAWHQIXSVVPI-AWEZNQCLSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.88
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

(1R)-1-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82889440
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
(1R)-1-(2-butoxy-4-methylphenyl)ethanamine
CID 63639629
(1R)-1-[2-(4-methoxybutoxy)-4-methylphenyl]ethanamine
CID 104647105
(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
CID 2297150
1-[3-(2-bromo-4-methylphenoxy)propyl]pyrrolidine
CID 2299479
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
(1R)-1-[2-(2-ethoxyethoxy)-4-methylphenyl]ethanamine
CID 63639630
1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2057820
(1R)-1-[2-(3,3-dimethylbutoxy)-4-methylphenyl]ethanamine
CID 78946993
[5-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 63325192

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine (CID 63650259) is (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine is Cc1ccc([C@H](C)N)c(OCCCN2CCCC2)c1.
What is the InChIKey of (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
The InChIKey is UTGAWHQIXSVVPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-7-15(14(2)17)16(12-13)19-11-5-10-18-8-3-4-9-18/h6-7,12,14H,3-5,8-11,17H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine?
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 63650259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).