1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine

C14H16BrNO — CID 83176008

IUPAC1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccoc1)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyJXKMHLTWOOYMHF-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.42
Rot. Bonds5

About 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine

1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine (PubChem CID 83176008) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
PubChem CID83176008
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccoc1)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3
InChIKeyJXKMHLTWOOYMHF-UHFFFAOYSA-N
XLogP3.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-3-(furan-3-yl)-N-methylpropan-2-amine
CID 83174739
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-bromophenyl)-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 60819427
1-(3-bromophenyl)-N-methyl-3-pyridin-3-ylpropan-2-amine
CID 62550846
1-(3-bromophenyl)-N-methylpent-4-yn-2-amine
CID 62234429
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-(3-bromophenyl)-N-methylhex-4-yn-2-amine
CID 62310795
1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 103039859
1-(3-bromophenyl)-N,4,6,6-tetramethylheptan-2-amine
CID 115789167
[2-(3-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105202855
1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine (CID 83176008) is 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine is CNC(Cc1ccoc1)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
The InChIKey is JXKMHLTWOOYMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-16-14(9-12-5-6-17-10-12)8-11-3-2-4-13(15)7-11/h2-7,10,14,16H,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine has a molecular weight of 294.19 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(furan-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 83176008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).