1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine

C16H24N2O — CID 62982691

IUPAC1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
SMILESCc1cccc(OCCNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-3-2-4-16(11-13)19-10-8-17-14-7-9-18(12-14)15-5-6-15/h2-4,11,14-15,17H,5-10,12H2,1H3
InChIKeyRSDRPCNBIROWLD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds6

About 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine

1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine (PubChem CID 62982691) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
PubChem CID62982691
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
SMILESCc1cccc(OCCNC2CCN(C3CC3)C2)c1
InChIInChI=1S/C16H24N2O/c1-13-3-2-4-16(11-13)19-10-8-17-14-7-9-18(12-14)15-5-6-15/h2-4,11,14-15,17H,5-10,12H2,1H3
InChIKeyRSDRPCNBIROWLD-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.20
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

N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111918268
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
2-(3-methylphenoxy)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 62659459
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
4-[3-[(1-cyclopropylpyrrolidin-3-yl)amino]phenoxy]butanenitrile
CID 62980984
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine (CID 62982691) is 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine is Cc1cccc(OCCNC2CCN(C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is RSDRPCNBIROWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-3-2-4-16(11-13)19-10-8-17-14-7-9-18(12-14)15-5-6-15/h2-4,11,14-15,17H,5-10,12H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 62982691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).