[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine

C14H20N2O — CID 114519998

IUPAC[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C14H20N2O/c15-9-11-7-8-16(10-11)12-1-3-13(4-2-12)17-14-5-6-14/h1-4,11,14H,5-10,15H2
InChIKeyGBEZCHLQAXHLPT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.01
Rot. Bonds4

About [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine

[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 114519998) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine
PubChem CID114519998
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C14H20N2O/c15-9-11-7-8-16(10-11)12-1-3-13(4-2-12)17-14-5-6-14/h1-4,11,14H,5-10,15H2
InChIKeyGBEZCHLQAXHLPT-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine 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

1-(4-cycloheptyloxyphenyl)piperidin-4-amine
CID 82925702
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
[1-(3-butan-2-yloxyphenyl)pyrrolidin-3-yl]methanamine
CID 62327372
1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123192305
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
(2S)-2-[[1-[4-[(4-cyclopentyloxyphenyl)carbamoylamino]phenyl]pyrrolidin-3-yl]methylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 67480241
[1-(3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 24703960
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine (CID 114519998) is [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ccc(OC3CC3)cc2)C1.
What is the InChIKey of [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is GBEZCHLQAXHLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-9-11-7-8-16(10-11)12-1-3-13(4-2-12)17-14-5-6-14/h1-4,11,14H,5-10,15H2.
What are the key properties of [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine?
[1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropyloxyphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114519998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).