2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

C17H25BrN2 — CID 114462097

IUPAC2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC(C)(C)C1=CCN(C(CN)c2ccccc2Br)CC1
InChIInChI=1S/C17H25BrN2/c1-17(2,3)13-8-10-20(11-9-13)16(12-19)14-6-4-5-7-15(14)18/h4-8,16H,9-12,19H2,1-3H3
InChIKeyCSXMSUZGRGMSKF-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.13
Rot. Bonds3

About 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine

2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (PubChem CID 114462097) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
PubChem CID114462097
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
SMILESCC(C)(C)C1=CCN(C(CN)c2ccccc2Br)CC1
InChIInChI=1S/C17H25BrN2/c1-17(2,3)13-8-10-20(11-9-13)16(12-19)14-6-4-5-7-15(14)18/h4-8,16H,9-12,19H2,1-3H3
InChIKeyCSXMSUZGRGMSKF-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(furan-2-yl)ethanamine
CID 114462182
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methylfuran-2-yl)ethanamine
CID 114462186
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 114462170
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 24693860
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
2-(2-fluorophenyl)-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine
CID 114462445
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462
2-(4-bromophenyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114489510
[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
CID 55022489
4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-2,6-dione
CID 66084652
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 62133000

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine (CID 114462097) is 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is CC(C)(C)C1=CCN(C(CN)c2ccccc2Br)CC1.
What is the InChIKey of 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
The InChIKey is CSXMSUZGRGMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-17(2,3)13-8-10-20(11-9-13)16(12-19)14-6-4-5-7-15(14)18/h4-8,16H,9-12,19H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine?
2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine has a molecular weight of 337.31 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine is sourced from PubChem (CID 114462097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).