[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone

C12H15BrN2O — CID 66861500

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-10-5-3-9(4-6-10)12(16)15-7-1-2-11(15)8-14/h3-6,11H,1-2,7-8,14H2
InChIKeyCRJMOWWFLPLAJC-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.01
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone (PubChem CID 66861500) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
PubChem CID66861500
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
SMILESNCC1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c13-10-5-3-9(4-6-10)12(16)15-7-1-2-11(15)8-14/h3-6,11H,1-2,7-8,14H2
InChIKeyCRJMOWWFLPLAJC-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-bromophenyl)-[2-(2-chloropropyl)pyrrolidin-1-yl]methanone
CID 112748395
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-bromophenoxy)-3-fluorophenyl]methanone
CID 119631643
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 81482483
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-3-fluorophenyl)methanone;hydrochloride
CID 119631409
[2-(2-bromoethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80666598
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone (CID 66861500) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone is NCC1CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone?
The InChIKey is CRJMOWWFLPLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-5-3-9(4-6-10)12(16)15-7-1-2-11(15)8-14/h3-6,11H,1-2,7-8,14H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone has a molecular weight of 283.17 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone is sourced from PubChem (CID 66861500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).