N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine

C18H24BrNO — CID 43495744

IUPACN-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)CC)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H24BrNO/c1-4-12-20-18(16-10-11-17(19)21-16)15-8-6-14(7-9-15)13(3)5-2/h6-11,13,18,20H,4-5,12H2,1-3H3
InChIKeyNKOKAOVEFDTNOZ-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.64
Rot. Bonds7

About N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine

N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 43495744) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
PubChem CID43495744
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C(C)CC)cc1)c1ccc(Br)o1
InChIInChI=1S/C18H24BrNO/c1-4-12-20-18(16-10-11-17(19)21-16)15-8-6-14(7-9-15)13(3)5-2/h6-11,13,18,20H,4-5,12H2,1-3H3
InChIKeyNKOKAOVEFDTNOZ-UHFFFAOYSA-N
XLogP5.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.30
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105018504
N-[(5-bromofuran-2-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 115797770
N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 107960815
N-[(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methyl]propan-1-amine
CID 81323088
5-[(5-bromofuran-2-yl)-(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43496013
N-[(5-bromofuran-2-yl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 43496337
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(5-bromofuran-2-yl)-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045147
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(5-bromofuran-2-yl)-(2,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43495206
N-[(5-bromofuran-2-yl)-(4-bromo-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 105041198
N-[(5-bromofuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106883535

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine (CID 43495744) is N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C(C)CC)cc1)c1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is NKOKAOVEFDTNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-4-12-20-18(16-10-11-17(19)21-16)15-8-6-14(7-9-15)13(3)5-2/h6-11,13,18,20H,4-5,12H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine?
N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).