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

C17H22BrNO — CID 62999421

IUPAC2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C17H22BrNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3
InChIKeyCAQRKUWOFFYRPX-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.44
Rot. Bonds8

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

2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine (PubChem CID 62999421) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
PubChem CID62999421
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C17H22BrNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3
InChIKeyCAQRKUWOFFYRPX-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.44
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

2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 63521934
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine
CID 62998676
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817
2-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 79443194
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
2-[(3-bromophenyl)methyl]-4-methyl-N-propylhexan-1-amine
CID 55195268
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 62998868
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
CID 63523538
2-[(3-bromophenyl)methyl]-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106456966

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine (CID 62999421) is 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cccc(Br)c1)Cc1ccco1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine?
The InChIKey is CAQRKUWOFFYRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-2-8-19-13-15(12-17-7-4-9-20-17)10-14-5-3-6-16(18)11-14/h3-7,9,11,15,19H,2,8,10,12-13H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine?
2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine has a molecular weight of 336.27 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(furan-2-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62999421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).