5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine

C14H14BrClN2 — CID 65029483

IUPAC5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
SMILESClCC(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14BrClN2/c15-12-6-7-14(17-10-12)18-13(9-16)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2,(H,17,18)
InChIKeyRRSBSSIBDFWUJW-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.11
Rot. Bonds5

About 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine (PubChem CID 65029483) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
PubChem CID65029483
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
SMILESClCC(Cc1ccccc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H14BrClN2/c15-12-6-7-14(17-10-12)18-13(9-16)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2,(H,17,18)
InChIKeyRRSBSSIBDFWUJW-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
CID 79717744
5-bromo-N-(1-chloro-3-methoxypropan-2-yl)pyridin-2-amine
CID 106181473
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
3-(5-bromo-2-pyridinyl)-1-(1-chloro-2-phenylethyl)-1-sulfanylurea
CID 87905627
N-(1-chloro-3-phenylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330687
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164
N-[2-(4-bromophenoxy)ethyl]-1-chloro-3-phenylpropan-2-amine
CID 65025362
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine (CID 65029483) is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine is ClCC(Cc1ccccc1)Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine?
The InChIKey is RRSBSSIBDFWUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c15-12-6-7-14(17-10-12)18-13(9-16)8-11-4-2-1-3-5-11/h1-7,10,13H,8-9H2,(H,17,18).
What are the key properties of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine?
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine has a molecular weight of 325.64 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 65029483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).