1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine

C14H21BrN2 — CID 117478728

IUPAC1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(N2CCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-14(2,16)10-11-5-6-13(12(15)9-11)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyPAJUZLYRUPPIQO-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.33
Rot. Bonds3

About 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine

1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine (PubChem CID 117478728) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
PubChem CID117478728
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ccc(N2CCCC2)c(Br)c1
InChIInChI=1S/C14H21BrN2/c1-14(2,16)10-11-5-6-13(12(15)9-11)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyPAJUZLYRUPPIQO-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-pyrrolidin-1-ylphenyl)propan-2-one
CID 117453199
2-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 117455100
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
1-[2-bromo-4-(bromomethyl)phenyl]-4-tert-butylpiperidine
CID 114062528
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877
1-(2-bromo-4-ethylphenyl)piperazine
CID 84712435
N-[(3-bromo-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 114062690
2-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 117482011
1-[4-(aminomethyl)-2-bromophenyl]-3-methylpyrrolidin-3-ol
CID 103355326
1-[2-bromo-4-(bromomethyl)phenyl]-3-(trifluoromethyl)piperidine
CID 114062558
N-[1-(3-bromo-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 55130910
1-[4-(azepan-1-yl)-3-bromophenyl]ethanol
CID 62907818

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine (CID 117478728) is 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine is CC(C)(N)Cc1ccc(N2CCCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine?
The InChIKey is PAJUZLYRUPPIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-14(2,16)10-11-5-6-13(12(15)9-11)17-7-3-4-8-17/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine?
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine has a molecular weight of 297.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyrrolidin-1-ylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 117478728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).