N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine

C18H24BrNO — CID 106851925

IUPACN-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)c(CC)c1)c1ccoc1Br
InChIInChI=1S/C18H24BrNO/c1-4-10-20-17(16-9-11-21-18(16)19)15-8-7-13(5-2)14(6-3)12-15/h7-9,11-12,17,20H,4-6,10H2,1-3H3
InChIKeyFMZCYBRYZQUDKK-UHFFFAOYSA-N
MW350.30 g/mol
LogP5.26
Rot. Bonds7

About N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine (PubChem CID 106851925) has the molecular formula C18H24BrNO and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
PubChem CID106851925
Molecular FormulaC18H24BrNO
Molecular Weight350.30 g/mol
Exact Mass349.10
IUPAC NameN-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)c(CC)c1)c1ccoc1Br
InChIInChI=1S/C18H24BrNO/c1-4-10-20-17(16-9-11-21-18(16)19)15-8-7-13(5-2)14(6-3)12-15/h7-9,11-12,17,20H,4-6,10H2,1-3H3
InChIKeyFMZCYBRYZQUDKK-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromofuran-3-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 106851661
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(2-bromofuran-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 106851805
N-[(2-bromofuran-3-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 106851671
N-[(2-bromofuran-3-yl)-(4-chloro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858080
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[(2-bromofuran-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 106857785
N-[(2-bromofuran-3-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 106851675
N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(2-bromofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106857638
N-[(2-bromofuran-3-yl)-(2-ethoxy-5-methylphenyl)methyl]propan-1-amine
CID 106851786

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine (CID 106851925) is N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(CC)c(CC)c1)c1ccoc1Br.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine?
The InChIKey is FMZCYBRYZQUDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO/c1-4-10-20-17(16-9-11-21-18(16)19)15-8-7-13(5-2)14(6-3)12-15/h7-9,11-12,17,20H,4-6,10H2,1-3H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(3,4-diethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106851925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).