2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine

C18H20BrNO — CID 104769674

IUPAC2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
SMILESCC(N)(CC1CCOc2ccccc21)c1ccccc1Br
InChIInChI=1S/C18H20BrNO/c1-18(20,15-7-3-4-8-16(15)19)12-13-10-11-21-17-9-5-2-6-14(13)17/h2-9,13H,10-12,20H2,1H3
InChIKeyAIUZEQXSZPETRJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.58
Rot. Bonds3

About 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine

2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine (PubChem CID 104769674) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
PubChem CID104769674
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
SMILESCC(N)(CC1CCOc2ccccc21)c1ccccc1Br
InChIInChI=1S/C18H20BrNO/c1-18(20,15-7-3-4-8-16(15)19)12-13-10-11-21-17-9-5-2-6-14(13)17/h2-9,13H,10-12,20H2,1H3
InChIKeyAIUZEQXSZPETRJ-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
CID 104769663
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 104769283
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
2-(aminomethyl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)butanoic acid
CID 106487423
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
2-(aminomethyl)-2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 106488533
3-(3,4-dihydro-2H-chromen-4-ylmethoxymethyl)pentan-3-amine
CID 104768841

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine (CID 104769674) is 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine is CC(N)(CC1CCOc2ccccc21)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The InChIKey is AIUZEQXSZPETRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-18(20,15-7-3-4-8-16(15)19)12-13-10-11-21-17-9-5-2-6-14(13)17/h2-9,13H,10-12,20H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine has a molecular weight of 346.27 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine is sourced from PubChem (CID 104769674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).