1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine

C13H19BrN2 — CID 103575101

IUPAC1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(C(C)c2cccc(Br)c2)CC1N
InChIInChI=1S/C13H19BrN2/c1-9-7-16(8-13(9)15)10(2)11-4-3-5-12(14)6-11/h3-6,9-10,13H,7-8,15H2,1-2H3
InChIKeyLXMMWVDPPPCXLQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.79
Rot. Bonds2

About 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine

1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine (PubChem CID 103575101) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
PubChem CID103575101
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
SMILESCC1CN(C(C)c2cccc(Br)c2)CC1N
InChIInChI=1S/C13H19BrN2/c1-9-7-16(8-13(9)15)10(2)11-4-3-5-12(14)6-11/h3-6,9-10,13H,7-8,15H2,1-2H3
InChIKeyLXMMWVDPPPCXLQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 103575368
4-methyl-1-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 103575296
1-[1-(furan-3-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575621
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 103575456
1-(3-bromophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79189044
4-methyl-1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-3-amine
CID 103575508
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
1-[1-(furan-2-yl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575099
3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
CID 61263126
1-N-[(1S)-1-(3-bromophenyl)ethyl]cyclobutane-1,3-diamine
CID 81382055

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine (CID 103575101) is 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine is CC1CN(C(C)c2cccc(Br)c2)CC1N.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine?
The InChIKey is LXMMWVDPPPCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-9-7-16(8-13(9)15)10(2)11-4-3-5-12(14)6-11/h3-6,9-10,13H,7-8,15H2,1-2H3.
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine?
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine has a molecular weight of 283.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 103575101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).