N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride

C19H18BrCl2NO — CID 17208659

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H17BrClNO.ClH/c20-16-5-3-15(4-6-16)19-10-9-18(23-19)13-22-12-11-14-1-7-17(21)8-2-14;/h1-10,22H,11-13H2;1H
InChIKeyKBRGFIHYVOJOOH-UHFFFAOYSA-N
MW427.17 g/mol
LogP6.12
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride (PubChem CID 17208659) has the molecular formula C19H18BrCl2NO and a molecular weight of 427.17 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
PubChem CID17208659
Molecular FormulaC19H18BrCl2NO
Molecular Weight427.17 g/mol
Exact Mass424.99
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
SMILESCl.Clc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C19H17BrClNO.ClH/c20-16-5-3-15(4-6-16)19-10-9-18(23-19)13-22-12-11-14-1-7-17(21)8-2-14;/h1-10,22H,11-13H2;1H
InChIKeyKBRGFIHYVOJOOH-UHFFFAOYSA-N
XLogP6.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.17
LogP ≤ 56.12
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

4-[2-[[5-(4-bromophenyl)furan-2-yl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17332241
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17332138
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
CID 17332235
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride (CID 17208659) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride is Cl.Clc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride?
The InChIKey is KBRGFIHYVOJOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClNO.ClH/c20-16-5-3-15(4-6-16)19-10-9-18(23-19)13-22-12-11-14-1-7-17(21)8-2-14;/h1-10,22H,11-13H2;1H.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride has a molecular weight of 427.17 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride is sourced from PubChem (CID 17208659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).