2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

C17H27BrN2 — CID 115210512

IUPAC2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESCc1ccc(Br)cc1C(C)(C)CNCCC1CCCN1
InChIInChI=1S/C17H27BrN2/c1-13-6-7-14(18)11-16(13)17(2,3)12-19-10-8-15-5-4-9-20-15/h6-7,11,15,19-20H,4-5,8-10,12H2,1-3H3
InChIKeyUXUMTTOGNXGAMG-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.77
Rot. Bonds6

About 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine

2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (PubChem CID 115210512) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
PubChem CID115210512
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
SMILESCc1ccc(Br)cc1C(C)(C)CNCCC1CCCN1
InChIInChI=1S/C17H27BrN2/c1-13-6-7-14(18)11-16(13)17(2,3)12-19-10-8-15-5-4-9-20-15/h6-7,11,15,19-20H,4-5,8-10,12H2,1-3H3
InChIKeyUXUMTTOGNXGAMG-UHFFFAOYSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]piperidin-3-amine
CID 115118368
2-methyl-N-(2-pyrrolidin-2-ylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115210503
2-methyl-2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210518
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211100
2-cyclopentyl-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210522
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine (CID 115210512) is 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is Cc1ccc(Br)cc1C(C)(C)CNCCC1CCCN1.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
The InChIKey is UXUMTTOGNXGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-13-6-7-14(18)11-16(13)17(2,3)12-19-10-8-15-5-4-9-20-15/h6-7,11,15,19-20H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine?
2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine has a molecular weight of 339.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-2-methyl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 115210512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).