(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine

C15H18BrNO — CID 106851486

IUPAC(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccoc2Br)cc1
InChIInChI=1S/C15H18BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)12-8-9-18-14(12)16/h4-9,13H,17H2,1-3H3
InChIKeyALQPPNHMKIXCCB-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.39
Rot. Bonds2

About (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine

(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine (PubChem CID 106851486) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
PubChem CID106851486
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccoc2Br)cc1
InChIInChI=1S/C15H18BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)12-8-9-18-14(12)16/h4-9,13H,17H2,1-3H3
InChIKeyALQPPNHMKIXCCB-UHFFFAOYSA-N
XLogP4.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-[bromo-(4-tert-butylphenyl)methyl]furan
CID 106855573
2-bromo-3-[(4-tert-butylphenyl)-chloromethyl]furan
CID 106855489
(2-bromofuran-3-yl)-(3,4-diethylphenyl)methanamine
CID 106851922
1-(2-bromofuran-3-yl)-4,4-dimethylpentan-1-amine
CID 106857415
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanamine
CID 81110803
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 106851869
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
1-(2-bromofuran-3-yl)propan-1-amine
CID 103846080
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine (CID 106851486) is (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2ccoc2Br)cc1.
What is the InChIKey of (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine?
The InChIKey is ALQPPNHMKIXCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-15(2,3)11-6-4-10(5-7-11)13(17)12-8-9-18-14(12)16/h4-9,13H,17H2,1-3H3.
What are the key properties of (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine?
(2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 106851486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).