1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine

C11H14BrClN2 — CID 104724409

IUPAC1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
SMILESCc1cc(Br)c(N2CCC(N)C2)cc1Cl
InChIInChI=1S/C11H14BrClN2/c1-7-4-9(12)11(5-10(7)13)15-3-2-8(14)6-15/h4-5,8H,2-3,6,14H2,1H3
InChIKeyCATDHQKIBUSRCH-UHFFFAOYSA-N
MW289.60 g/mol
LogP2.95
Rot. Bonds1

About 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine

1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine (PubChem CID 104724409) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
PubChem CID104724409
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine
SMILESCc1cc(Br)c(N2CCC(N)C2)cc1Cl
InChIInChI=1S/C11H14BrClN2/c1-7-4-9(12)11(5-10(7)13)15-3-2-8(14)6-15/h4-5,8H,2-3,6,14H2,1H3
InChIKeyCATDHQKIBUSRCH-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-bromo-5-chloro-4-methylphenyl)azetidin-2-one
CID 104725658
1-(4-bromo-3,5-dimethylphenyl)pyrrolidin-3-amine
CID 107575286
1-[2-bromo-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 114043042
(3S)-1-(2-bromophenyl)pyrrolidin-3-amine
CID 51663672
2-(2-bromo-5-chloro-4-methylphenyl)-2-azaspiro[3.4]octane
CID 104724350
1-(2,5-dimethyl-4-pyridinyl)pyrrolidin-3-amine
CID 83829915
(3R)-1-(6-chloro-5-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 131173225
2-(2-bromo-5-chloro-4-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 104725409
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
5-bromo-4-(3-tert-butylpyrrolidin-1-yl)-2-methylaniline
CID 114048327
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
CID 51663668

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine (CID 104724409) is 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine is Cc1cc(Br)c(N2CCC(N)C2)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine?
The InChIKey is CATDHQKIBUSRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-7-4-9(12)11(5-10(7)13)15-3-2-8(14)6-15/h4-5,8H,2-3,6,14H2,1H3.
What are the key properties of 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine?
1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine has a molecular weight of 289.60 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chloro-4-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 104724409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).