1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine

C18H20BrNO — CID 43804336

IUPAC1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO/c1-2-17(14-4-6-16(19)7-5-14)20-12-13-3-8-18-15(11-13)9-10-21-18/h3-8,11,17,20H,2,9-10,12H2,1H3
InChIKeyQNMIQCRDDJEMBW-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.62
Rot. Bonds5

About 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine

1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine (PubChem CID 43804336) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
PubChem CID43804336
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrNO/c1-2-17(14-4-6-16(19)7-5-14)20-12-13-3-8-18-15(11-13)9-10-21-18/h3-8,11,17,20H,2,9-10,12H2,1H3
InChIKeyQNMIQCRDDJEMBW-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43757036
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43754954
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 94531089
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
5-bromo-N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylaniline
CID 43787901
(2S)-2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-1-ol
CID 93297893
N-[1-(4-ethylphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732589
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2,3-dimethylbutan-1-amine
CID 64568486
4-[[1-(4-bromophenyl)propylamino]methyl]-N,N-dimethylaniline
CID 43182464
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine (CID 43804336) is 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine is CCC(NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine?
The InChIKey is QNMIQCRDDJEMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-17(14-4-6-16(19)7-5-14)20-12-13-3-8-18-15(11-13)9-10-21-18/h3-8,11,17,20H,2,9-10,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine?
1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine has a molecular weight of 346.27 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43804336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).