1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine

C15H20BrNO — CID 62066163

IUPAC1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCC1CCC=CO1
InChIInChI=1S/C15H20BrNO/c1-12(10-13-5-7-14(16)8-6-13)17-11-15-4-2-3-9-18-15/h3,5-9,12,15,17H,2,4,10-11H2,1H3
InChIKeyDVLXTQBEVURSEO-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine

1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (PubChem CID 62066163) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
PubChem CID62066163
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccc(Br)cc1)NCC1CCC=CO1
InChIInChI=1S/C15H20BrNO/c1-12(10-13-5-7-14(16)8-6-13)17-11-15-4-2-3-9-18-15/h3,5-9,12,15,17H,2,4,10-11H2,1H3
InChIKeyDVLXTQBEVURSEO-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
2-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62064914
5-bromo-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylaniline
CID 62066171
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
1-(4-bromophenyl)-N-[(1-methylpiperidin-3-yl)methyl]propan-2-amine
CID 55099655
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
CID 62065092
4-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]benzonitrile
CID 55030449
1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 62065619
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-phenylmethanamine
CID 55030737
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(4-methoxyphenyl)methyl]methanamine
CID 55030445
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine (CID 62066163) is 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine is CC(Cc1ccc(Br)cc1)NCC1CCC=CO1.
What is the InChIKey of 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
The InChIKey is DVLXTQBEVURSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-12(10-13-5-7-14(16)8-6-13)17-11-15-4-2-3-9-18-15/h3,5-9,12,15,17H,2,4,10-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine?
1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine has a molecular weight of 310.23 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62066163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).