N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

C16H23BrN2 — CID 115704080

IUPACN-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-11-9-13(10-19(11)14-7-8-14)18-12(2)15-5-3-4-6-16(15)17/h3-6,11-14,18H,7-10H2,1-2H3
InChIKeyAVFABTADHMUIIT-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine

N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (PubChem CID 115704080) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
PubChem CID115704080
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C16H23BrN2/c1-11-9-13(10-19(11)14-7-8-14)18-12(2)15-5-3-4-6-16(15)17/h3-6,11-14,18H,7-10H2,1-2H3
InChIKeyAVFABTADHMUIIT-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-cyclopropyl-N-[(1S)-1-(2,3-dichlorophenyl)ethyl]-5-methylpyrrolidin-3-amine
CID 97322592
1-cyclopropyl-5-methyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 113491658
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
1-cyclopropyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 115705804
1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 104866703
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
1-cyclopropyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyrrolidin-3-amine
CID 115709368
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine (CID 115704080) is N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is CC(NC1CC(C)N(C2CC2)C1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
The InChIKey is AVFABTADHMUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-11-9-13(10-19(11)14-7-8-14)18-12(2)15-5-3-4-6-16(15)17/h3-6,11-14,18H,7-10H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine?
N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine has a molecular weight of 323.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 115704080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).