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

C16H20BrNO — CID 83174817

IUPAC1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C16H20BrNO/c1-2-8-18-15(12-16-7-4-9-19-16)11-13-5-3-6-14(17)10-13/h3-7,9-10,15,18H,2,8,11-12H2,1H3
InChIKeyKXZUZMLICPKAAC-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.20
Rot. Bonds7

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

1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine (PubChem CID 83174817) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
PubChem CID83174817
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C16H20BrNO/c1-2-8-18-15(12-16-7-4-9-19-16)11-13-5-3-6-14(17)10-13/h3-7,9-10,15,18H,2,8,11-12H2,1H3
InChIKeyKXZUZMLICPKAAC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62999421
1-(3-bromophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62552254
1-(furan-2-yl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 83175814
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
1-(3-bromophenyl)-4-methylidene-N-propylhexan-2-amine
CID 66047440
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
1-(3-bromophenyl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 62600989
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine (CID 83174817) is 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1cccc(Br)c1)Cc1ccco1.
What is the InChIKey of 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine?
The InChIKey is KXZUZMLICPKAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-2-8-18-15(12-16-7-4-9-19-16)11-13-5-3-6-14(17)10-13/h3-7,9-10,15,18H,2,8,11-12H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine?
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine has a molecular weight of 322.25 g/mol, XLogP of 4.20, 7 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-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 83174817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).