2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine

C15H20BrNO — CID 62064914

IUPAC2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCC1CCC=CO1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c1-15(2,12-6-8-13(16)9-7-12)17-11-14-5-3-4-10-18-14/h4,6-10,14,17H,3,5,11H2,1-2H3
InChIKeyYJQQHVKOVAVFKI-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.97
Rot. Bonds4

About 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine

2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (PubChem CID 62064914) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
PubChem CID62064914
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCC1CCC=CO1)c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c1-15(2,12-6-8-13(16)9-7-12)17-11-14-5-3-4-10-18-14/h4,6-10,14,17H,3,5,11H2,1-2H3
InChIKeyYJQQHVKOVAVFKI-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (CID 62064914) is 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine is CC(C)(NCC1CCC=CO1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The InChIKey is YJQQHVKOVAVFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-15(2,12-6-8-13(16)9-7-12)17-11-14-5-3-4-10-18-14/h4,6-10,14,17H,3,5,11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine has a molecular weight of 310.24 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62064914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).