methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate

C13H19N3O2 — CID 106637935

IUPACmethyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)16-11-5-2-4-10(8-11)15-9-12-6-3-7-14-12/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyPRMDHHNDQXBIKL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds4

About methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate

methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate (PubChem CID 106637935) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
PubChem CID106637935
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CCCN2)c1
InChIInChI=1S/C13H19N3O2/c1-18-13(17)16-11-5-2-4-10(8-11)15-9-12-6-3-7-14-12/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyPRMDHHNDQXBIKL-UHFFFAOYSA-N
XLogP2.03
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-(piperidin-2-ylmethylamino)phenyl]acetamide
CID 106633351
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
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methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
methyl 3-[[(2S)-pyrrolidin-2-yl]methylcarbamoylamino]benzoate;hydrochloride
CID 154900818
oxalic acid;N-(pyrrolidin-2-ylmethyl)naphthalen-2-amine
CID 17389955
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
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methyl 2-chloro-5-(piperidin-2-ylmethylamino)benzoate
CID 106633173

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate (CID 106637935) is methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate is COC(=O)Nc1cccc(NCC2CCCN2)c1.
What is the InChIKey of methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate?
The InChIKey is PRMDHHNDQXBIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13(17)16-11-5-2-4-10(8-11)15-9-12-6-3-7-14-12/h2,4-5,8,12,14-15H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate?
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 106637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).