N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine

C16H20BrNO — CID 4723764

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H20BrNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h5-10,18H,2-4,11-12H2,1H3
InChIKeyHIWPNZBRJYEOQG-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.99
Rot. Bonds7

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine

N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine (PubChem CID 4723764) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
PubChem CID4723764
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
SMILESCCCCCNCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C16H20BrNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h5-10,18H,2-4,11-12H2,1H3
InChIKeyHIWPNZBRJYEOQG-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]heptan-1-amine
CID 4723512
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056314
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
methyl 4-[5-[(hexylamino)methyl]furan-2-yl]benzoate
CID 4724301
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methyl]heptan-1-amine;hydrochloride
CID 17057126
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 4724568
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(4-bromophenyl)furan-2-yl]methyl]prop-2-en-1-amine;hydrochloride
CID 17332235

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine (CID 4723764) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine is CCCCCNCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine?
The InChIKey is HIWPNZBRJYEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-2-3-4-11-18-12-15-9-10-16(19-15)13-5-7-14(17)8-6-13/h5-10,18H,2-4,11-12H2,1H3.
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.99, 7 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]pentan-1-amine is sourced from PubChem (CID 4723764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).