N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine

C12H17BrN2 — CID 70794412

IUPACN-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(c1ccc(Br)cc1)C1CCNC1
InChIInChI=1S/C12H17BrN2/c1-2-15(12-7-8-14-9-12)11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyIFSNAMRYTYPWMD-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.64
Rot. Bonds3

About N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine

N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine (PubChem CID 70794412) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
PubChem CID70794412
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(c1ccc(Br)cc1)C1CCNC1
InChIInChI=1S/C12H17BrN2/c1-2-15(12-7-8-14-9-12)11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3
InChIKeyIFSNAMRYTYPWMD-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
CID 63300108
4-[ethyl(pyrrolidin-3-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 63300290
3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876124
N-ethyl-N-phenylazepan-4-amine
CID 112690283
2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
CID 107280707
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-ethyl-N-(4-fluorophenyl)-4-methylpiperidin-3-amine
CID 66273077
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 63300017

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine (CID 70794412) is N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine is CCN(c1ccc(Br)cc1)C1CCNC1.
What is the InChIKey of N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is IFSNAMRYTYPWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-2-15(12-7-8-14-9-12)11-5-3-10(13)4-6-11/h3-6,12,14H,2,7-9H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine?
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 70794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).