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

C16H20BrNO — CID 79443194

IUPAC2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyHUIWVPHCXXLTMN-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.37
Rot. Bonds7

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

2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (PubChem CID 79443194) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
PubChem CID79443194
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccco1)c1cccc(Br)c1
InChIInChI=1S/C16H20BrNO/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3
InChIKeyHUIWVPHCXXLTMN-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenyl)-3-(furan-2-yl)propyl]-2-methylpropan-2-amine
CID 79442534
2-(3-bromophenyl)-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323813
2-(3-bromophenyl)-N-propylbutan-1-amine
CID 79443196
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
2-(3-bromophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79430229
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
3-(furan-2-yl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79416571
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine (CID 79443194) is 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is CCCNCC(Cc1ccco1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
The InChIKey is HUIWVPHCXXLTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-2-8-18-12-14(11-16-7-4-9-19-16)13-5-3-6-15(17)10-13/h3-7,9-10,14,18H,2,8,11-12H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine?
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 79443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).