1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine

C12H17BrN2 — CID 107575286

IUPAC1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N)C2)cc(C)c1Br
InChIInChI=1S/C12H17BrN2/c1-8-5-11(6-9(2)12(8)13)15-4-3-10(14)7-15/h5-6,10H,3-4,7,14H2,1-2H3
InChIKeyVKMJZUMYHYDXMO-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.60
Rot. Bonds1

About 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine

1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine (PubChem CID 107575286) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
PubChem CID107575286
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N)C2)cc(C)c1Br
InChIInChI=1S/C12H17BrN2/c1-8-5-11(6-9(2)12(8)13)15-4-3-10(14)7-15/h5-6,10H,3-4,7,14H2,1-2H3
InChIKeyVKMJZUMYHYDXMO-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
ethane;1-(6-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 164882777
1-(4-bromo-3,5-dimethylphenyl)-3-propylazetidine
CID 107575237
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
CID 104724409
2-(4-bromo-3,5-dimethylphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107579861
1-(4-bromo-3-fluorophenyl)pyrrolidin-3-amine
CID 65435771
1-(2,5-dimethyl-4-pyridinyl)pyrrolidin-3-amine
CID 83829915
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine (CID 107575286) is 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine is Cc1cc(N2CCC(N)C2)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine?
The InChIKey is VKMJZUMYHYDXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8-5-11(6-9(2)12(8)13)15-4-3-10(14)7-15/h5-6,10H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine?
1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 107575286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).