tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate

C19H30N2O2 — CID 103723577

IUPACtert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate
SMILESCc1ccccc1NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-9-6-7-11-17(14)20-15(2)13-16-10-8-12-21(16)18(22)23-19(3,4)5/h6-7,9,11,15-16,20H,8,10,12-13H2,1-5H3
InChIKeyVSZIQTPBSGSPMN-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate (PubChem CID 103723577) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate
PubChem CID103723577
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate
SMILESCc1ccccc1NC(C)CC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-9-6-7-11-17(14)20-15(2)13-16-10-8-12-21(16)18(22)23-19(3,4)5/h6-7,9,11,15-16,20H,8,10,12-13H2,1-5H3
InChIKeyVSZIQTPBSGSPMN-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[(4-methyl-3-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103723704
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CID 113248664
tert-butyl 3-[2-(2,3-dimethylanilino)propyl]morpholine-4-carboxylate
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tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
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tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[(2-butan-2-ylanilino)methyl]pyrrolidine-1-carboxylate
CID 142118284
tert-butyl 2-[2-(pyridazin-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 106895074
tert-butyl (2S)-2-[(2R)-2-[2-[(2-chlorobenzoyl)amino]ethylamino]propyl]pyrrolidine-1-carboxylate
CID 97309862
tert-butyl (2S)-2-(3-ethoxy-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxylate
CID 138971514
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate (CID 103723577) is tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate is Cc1ccccc1NC(C)CC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate?
The InChIKey is VSZIQTPBSGSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-9-6-7-11-17(14)20-15(2)13-16-10-8-12-21(16)18(22)23-19(3,4)5/h6-7,9,11,15-16,20H,8,10,12-13H2,1-5H3.
What are the key properties of tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(2-methylanilino)propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).