1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

C14H21N3O2 — CID 106785169

IUPAC1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CN2CCCC2C(N)=O)ccc1CN
InChIInChI=1S/C14H21N3O2/c1-19-13-7-10(4-5-11(13)8-15)9-17-6-2-3-12(17)14(16)18/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H2,16,18)
InChIKeyKDOHDVROBPMVRH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds5

About 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 106785169) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID106785169
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CN2CCCC2C(N)=O)ccc1CN
InChIInChI=1S/C14H21N3O2/c1-19-13-7-10(4-5-11(13)8-15)9-17-6-2-3-12(17)14(16)18/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H2,16,18)
InChIKeyKDOHDVROBPMVRH-UHFFFAOYSA-N
XLogP0.60
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-carbamothioyl-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 106788713
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038
1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 175978099
benzyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 13154144
1-[[3-[(2-methoxyphenyl)methylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 75385102
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2S)-1-[(3-butoxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038768
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (CID 106785169) is 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is COc1cc(CN2CCCC2C(N)=O)ccc1CN.
What is the InChIKey of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KDOHDVROBPMVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-7-10(4-5-11(13)8-15)9-17-6-2-3-12(17)14(16)18/h4-5,7,12H,2-3,6,8-9,15H2,1H3,(H2,16,18).
What are the key properties of 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 106785169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).